#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxr s THR 2 N 0.00 2.97 0.13 2.61 2.01 -0.03 -1.84 115.64 121.49 1wxr s THR 2 Ca 0.00 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1wxr s THR 2 Cb 0.00 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1wxr s THR 2 CO 0.00 0.55 -0.18 0.68 -0.69 0.00 0.00 174.62 174.99 1wxr s VAL 3 N -0.08 1.61 1.02 3.82 -7.23 -1.00 -1.53 120.40 117.01 1wxr s VAL 3 Ca -0.02 -1.69 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 1wxr s VAL 3 Cb -0.14 -1.61 0.20 0.00 0.56 0.00 0.00 36.38 35.39 1wxr s VAL 3 CO 0.04 -0.25 1.08 0.54 -0.31 0.00 0.00 175.10 176.20 1wxr s ASN 4 N -2.29 2.32 -0.10 4.85 2.20 -1.26 -0.84 114.94 119.81 1wxr s ASN 4 Ca 0.09 1.47 0.15 0.00 -0.94 0.00 0.00 52.86 53.63 1wxr s ASN 4 Cb -0.07 -2.15 0.50 0.00 -2.00 0.00 0.00 41.25 37.53 1wxr s ASN 4 CO 0.05 -3.36 1.42 -0.46 -2.94 0.00 0.00 177.10 171.80 1wxr n ASN 5 N -4.35 3.81 0.16 3.54 2.04 -1.02 -4.26 115.26 115.18 1wxr n ASN 5 Ca 0.05 -2.54 0.05 0.00 -0.44 0.00 0.00 54.58 51.71 1wxr n ASN 5 Cb 0.55 -0.45 0.13 0.00 -2.53 0.00 0.00 39.78 37.48 1wxr n ASN 5 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1wxr h GLU 6 N 2.44 0.00 -5.52 -3.83 5.08 -1.93 -3.47 114.58 107.36 1wxr h GLU 6 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1wxr h GLU 6 Cb 1.22 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 1wxr h GLU 6 CO 0.16 0.39 -0.57 -0.51 -1.00 0.00 0.00 179.01 177.48 1wxr s LEU 7 N -6.51 3.80 0.07 1.33 1.02 -1.26 -0.03 118.68 117.10 1wxr s LEU 7 Ca 0.04 0.14 -0.35 0.00 0.02 0.00 0.00 54.13 53.98 1wxr s LEU 7 Cb 0.08 -1.93 -0.15 0.00 0.02 0.00 0.00 46.19 44.21 1wxr s LEU 7 CO 0.72 0.26 1.56 0.61 0.02 0.00 0.00 176.35 179.52 1wxr n GLY 8 N 2.93 0.96 0.26 -3.19 0.00 -1.26 -4.86 105.19 100.02 1wxr n GLY 8 Ca -0.18 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.54 1wxr n GLY 8 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wxr h TYR 9 N 6.05 0.61 -0.93 1.61 3.20 -1.95 -1.09 116.97 124.48 1wxr h TYR 9 Ca -0.46 -0.09 0.27 0.00 3.14 0.00 0.00 58.73 61.59 1wxr h TYR 9 Cb 1.29 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 1wxr h TYR 9 CO 0.66 0.65 0.68 0.37 -1.64 0.00 0.00 178.16 178.88 1wxr h GLN 10 N 0.53 0.00 -0.39 1.82 5.75 -1.89 -1.66 115.11 119.27 1wxr h GLN 10 Ca 0.10 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.68 1wxr h GLN 10 Cb 0.48 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.96 1wxr h GLN 10 CO 0.03 0.00 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.05 1wxr h LEU 11 N 0.00 -0.34 -1.16 -2.39 4.07 -1.56 -1.14 115.31 112.80 1wxr h LEU 11 Ca 0.44 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 58.45 1wxr h LEU 11 Cb 1.79 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 43.75 1wxr h LEU 11 CO -0.00 -0.12 -0.30 -0.26 -1.08 0.00 0.00 178.44 176.67 1wxr h PHE 12 N 0.01 0.00 -0.02 1.13 0.04 -1.47 -1.29 116.94 115.33 1wxr h PHE 12 Ca 0.19 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.78 1wxr h PHE 12 Cb 0.28 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.44 1wxr h PHE 12 CO -0.34 0.30 -0.69 0.00 -0.60 0.00 0.00 178.31 176.99 1wxr h ARG 13 N 0.00 0.51 -0.26 1.51 2.47 -1.39 -2.31 114.38 114.91 1wxr h ARG 13 Ca -0.00 -0.51 -0.18 0.00 -1.26 0.00 0.00 59.98 58.02 1wxr h ARG 13 Cb 0.76 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1wxr h ARG 13 CO 0.04 1.15 -0.53 -0.44 0.56 0.00 0.00 179.97 180.74 1wxr h ASP 14 N 0.07 0.92 0.06 7.04 3.45 -1.12 -2.31 116.42 124.52 1wxr h ASP 14 Ca -0.08 -0.54 0.01 0.00 0.43 0.00 0.00 57.03 56.85 1wxr h ASP 14 Cb 1.37 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 39.84 1wxr h ASP 14 CO 0.14 1.29 -0.42 0.15 -1.57 0.00 0.00 179.24 178.83 1wxr h PHE 15 N 0.59 -1.23 0.00 4.55 3.57 -1.31 0.20 116.94 123.30 1wxr h PHE 15 Ca 0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1wxr h PHE 15 Cb 1.15 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 40.41 1wxr h PHE 15 CO 0.08 -0.47 -0.00 0.00 -2.23 0.00 0.00 178.31 175.69 1wxr h ALA 16 N -0.72 1.92 -0.69 2.41 0.00 -1.44 -2.03 119.26 118.72 1wxr h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wxr h ALA 16 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wxr h ALA 16 CO -0.25 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.39 1wxr n GLU 17 N -4.43 3.23 -2.96 0.00 1.02 -0.87 -4.93 120.64 111.70 1wxr n GLU 17 Ca -0.03 -2.77 -0.16 0.00 -0.02 0.00 0.00 57.16 54.18 1wxr n GLU 17 Cb 0.09 -1.72 -0.01 0.00 -0.02 0.00 0.00 31.44 29.78 1wxr n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wxr n ASN 18 N 1.38 -2.99 -4.93 1.62 5.03 -0.69 -4.96 115.26 109.72 1wxr n ASN 18 Ca 0.25 -0.06 -0.22 0.00 0.87 0.00 0.00 54.58 55.42 1wxr n ASN 18 Cb 0.75 -2.55 0.00 0.00 -1.02 0.00 0.00 39.78 36.97 1wxr n ASN 18 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1wxr s LYS 19 N -5.55 2.39 4.66 3.52 1.02 0.62 -3.36 119.74 123.03 1wxr s LYS 19 Ca 0.21 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1wxr s LYS 19 Cb -0.12 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1wxr s LYS 19 CO 0.26 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 1wxr n GLY 20 N -1.81 2.70 0.00 -3.33 0.00 -1.07 -1.50 105.19 100.17 1wxr n GLY 20 Ca 0.05 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1wxr n GLY 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wxr n MET 21 N 14.00 0.68 -1.02 1.61 0.00 -1.26 -3.07 117.12 128.06 1wxr n MET 21 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.56 1wxr n MET 21 Cb 0.00 -1.39 0.20 0.00 0.00 0.00 0.00 33.22 32.03 1wxr n MET 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1wxr n PHE 22 N -0.89 2.15 -1.59 3.17 3.01 -0.56 -4.79 117.46 117.95 1wxr n PHE 22 Ca 0.13 -1.68 -0.36 0.00 1.01 0.00 0.00 57.45 56.55 1wxr n PHE 22 Cb 0.06 -0.72 0.08 0.00 -0.01 0.00 0.00 39.48 38.89 1wxr n PHE 22 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1wxr s ARG 23 N -3.25 2.33 0.52 -1.08 1.70 -1.17 -4.05 118.95 113.94 1wxr s ARG 23 Ca 0.51 1.96 -0.22 0.00 -0.47 0.00 0.00 55.73 57.51 1wxr s ARG 23 Cb 0.44 -1.83 -0.06 0.00 -0.57 0.00 0.00 34.95 32.93 1wxr s ARG 23 CO 0.06 -1.74 1.26 -2.30 -1.08 0.00 0.00 175.30 171.50 1wxr n PRO 24 N -2.28 1.61 0.00 3.89 -0.02 -1.26 -1.75 135.00 135.18 1wxr n PRO 24 Ca 0.15 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1wxr n PRO 24 Cb 0.49 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1wxr n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wxr n GLY 25 N 0.87 2.67 3.70 -1.23 0.00 0.29 -4.90 105.19 106.60 1wxr n GLY 25 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1wxr n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr n ALA 26 N -0.39 1.88 -2.51 4.61 0.00 -0.72 -4.39 120.51 118.99 1wxr n ALA 26 Ca 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.64 1wxr n ALA 26 Cb 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 19.45 16.95 1wxr n ALA 26 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wxr s THR 27 N 0.19 1.53 -1.37 0.00 -4.23 -1.26 -0.49 115.64 110.02 1wxr s THR 27 Ca 0.68 -1.72 -0.17 0.00 -1.18 0.00 0.00 61.69 59.30 1wxr s THR 27 Cb -0.58 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1wxr s THR 27 CO 0.46 -0.31 0.39 0.59 -0.54 0.00 0.00 174.62 175.20 1wxr n ASN 28 N 0.61 -1.78 -4.60 3.99 3.02 -0.91 -4.86 115.26 110.72 1wxr n ASN 28 Ca -0.16 -1.26 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 1wxr n ASN 28 Cb 0.56 -1.82 -0.02 0.00 -0.61 0.00 0.00 39.78 37.89 1wxr n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wxr s ILE 29 N -3.92 4.12 -0.05 2.41 1.01 -0.94 -4.76 121.20 119.06 1wxr s ILE 29 Ca 0.25 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 1wxr s ILE 29 Cb -0.13 -4.51 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 1wxr s ILE 29 CO 0.97 -0.96 1.01 0.00 0.00 0.00 0.00 174.94 175.96 1wxr s ALA 30 N 4.75 3.31 -0.07 9.38 0.00 -1.26 -0.46 121.76 137.40 1wxr s ALA 30 Ca 0.51 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1wxr s ALA 30 Cb -0.09 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1wxr s ALA 30 CO 0.32 -0.46 -0.10 0.96 0.00 0.00 0.00 175.76 176.49 1wxr s ILE 31 N 1.59 3.46 -0.02 0.00 -4.36 0.30 -4.98 121.20 117.18 1wxr s ILE 31 Ca 0.51 -0.56 0.08 0.00 -0.26 0.00 0.00 60.65 60.41 1wxr s ILE 31 Cb -0.20 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 1wxr s ILE 31 CO 0.23 0.58 -0.26 -0.31 0.24 0.00 0.00 174.94 175.42 1wxr s TYR 32 N -0.59 2.34 0.91 1.37 2.02 -1.26 -1.47 117.35 120.67 1wxr s TYR 32 Ca 0.09 -0.44 -0.17 0.00 -0.37 0.00 0.00 57.07 56.17 1wxr s TYR 32 Cb -0.12 -1.51 -0.14 0.00 -0.40 0.00 0.00 41.96 39.80 1wxr s TYR 32 CO 0.02 -0.04 -0.62 -1.71 -1.57 0.00 0.00 175.55 171.62 1wxr n ASN 33 N 2.46 -5.42 0.31 2.29 2.85 0.12 -4.65 115.26 113.22 1wxr n ASN 33 Ca -0.16 0.28 0.21 0.00 -0.11 0.00 0.00 54.58 54.79 1wxr n ASN 33 Cb 0.51 -0.80 1.02 0.00 1.24 0.00 0.00 39.78 41.75 1wxr n ASN 33 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1wxr h LYS 34 N -0.84 0.00 -0.56 1.20 1.57 -0.78 -2.17 116.57 115.00 1wxr h LYS 34 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1wxr h LYS 34 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1wxr h LYS 34 CO 0.27 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.19 1wxr n GLN 35 N -3.07 2.49 -1.57 3.15 1.13 -1.26 -4.91 117.38 113.34 1wxr n GLN 35 Ca -0.02 -1.65 -0.04 0.00 -1.94 0.00 0.00 57.00 53.36 1wxr n GLN 35 Cb 0.16 -1.57 -0.01 0.00 0.11 0.00 0.00 30.24 28.93 1wxr n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wxr n GLY 36 N 0.86 0.45 3.37 1.08 0.00 -0.81 -5.03 105.19 105.10 1wxr n GLY 36 Ca 0.15 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1wxr n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wxr s GLU 37 N -3.22 3.33 0.27 1.61 2.12 -1.25 -4.85 118.70 116.70 1wxr s GLU 37 Ca 0.00 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.33 1wxr s GLU 37 Cb 0.00 -2.60 -0.13 0.00 0.26 0.00 0.00 34.13 31.67 1wxr s GLU 37 CO 0.00 0.23 1.47 0.34 -0.54 0.00 0.00 175.26 176.76 1wxr n PHE 38 N 3.47 2.45 0.00 5.30 7.35 -1.26 0.15 117.46 134.92 1wxr n PHE 38 Ca -0.18 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 1wxr n PHE 38 Cb 0.53 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1wxr n PHE 38 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wxr n VAL 39 N 1.85 0.00 0.00 -2.13 0.31 -0.54 -4.84 118.33 112.98 1wxr n VAL 39 Ca 0.10 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1wxr n VAL 39 Cb 0.34 0.70 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 1wxr n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wxr n GLY 40 N 1.01 3.45 3.30 2.92 0.00 -1.23 -4.82 105.19 109.80 1wxr n GLY 40 Ca 0.00 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 1wxr n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wxr s THR 41 N -2.00 1.74 -0.97 2.61 -1.32 -1.26 -0.54 115.64 113.90 1wxr s THR 41 Ca 0.00 -1.62 -0.19 0.00 -1.21 0.00 0.00 61.69 58.67 1wxr s THR 41 Cb 0.00 -1.62 0.11 0.00 -1.51 0.00 0.00 72.50 69.49 1wxr s THR 41 CO 0.00 -0.11 1.23 -0.76 -2.21 0.00 0.00 174.62 172.78 1wxr s LEU 42 N -2.05 4.65 0.00 9.08 2.01 0.39 -4.67 118.68 128.09 1wxr s LEU 42 Ca 0.08 -1.96 0.00 0.00 0.01 0.00 0.00 54.13 52.27 1wxr s LEU 42 Cb -0.09 -2.44 0.00 0.00 0.01 0.00 0.00 46.19 43.66 1wxr s LEU 42 CO 0.05 -1.16 0.41 -0.90 1.01 0.00 0.00 176.35 175.76 1wxr n ASP 43 N 7.11 0.53 0.05 2.29 3.85 -1.26 -2.14 116.55 126.98 1wxr n ASP 43 Ca 0.27 -1.17 0.04 0.00 -0.71 0.00 0.00 54.79 53.22 1wxr n ASP 43 Cb 0.49 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.20 1wxr n ASP 43 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wxr n LYS 44 N -0.08 0.62 -3.82 0.11 4.76 -1.26 -4.82 118.16 113.67 1wxr n LYS 44 Ca 0.00 0.16 -0.09 0.00 -2.87 0.00 0.00 58.31 55.51 1wxr n LYS 44 Cb 0.27 -1.79 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 1wxr n LYS 44 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wxr s ALA 45 N -3.08 -0.37 0.58 7.82 0.00 -1.26 -5.04 121.76 120.41 1wxr s ALA 45 Ca -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 1wxr s ALA 45 Cb 0.09 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1wxr s ALA 45 CO 0.81 -0.57 1.04 0.00 0.00 0.00 0.00 175.76 177.04 1wxr s ALA 46 N -3.86 2.84 0.19 0.00 0.00 -1.26 -4.70 121.76 114.96 1wxr s ALA 46 Ca 0.06 0.30 -0.33 0.00 0.00 0.00 0.00 51.96 51.99 1wxr s ALA 46 Cb 0.04 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.84 1wxr s ALA 46 CO -0.09 -0.67 1.64 -0.12 0.00 0.00 0.00 175.76 176.52 1wxr n MET 47 N -2.00 2.45 -1.56 0.00 1.56 0.36 -4.74 117.12 113.20 1wxr n MET 47 Ca 0.08 0.88 -0.30 0.00 -0.27 0.00 0.00 57.70 58.09 1wxr n MET 47 Cb 0.53 -2.69 0.08 0.00 2.15 0.00 0.00 33.22 33.30 1wxr n MET 47 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wxr s PRO 48 N 0.95 2.22 -0.28 2.12 0.04 -1.26 -0.55 135.00 138.24 1wxr s PRO 48 Ca 0.76 0.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 1wxr s PRO 48 Cb -0.59 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1wxr s PRO 48 CO 0.36 -1.54 0.26 0.34 0.04 0.00 0.00 177.00 176.47 1wxr s ASP 49 N -3.89 6.11 -0.00 6.66 3.68 -1.26 -4.45 116.67 123.52 1wxr s ASP 49 Ca 0.60 0.06 0.10 0.00 2.13 0.00 0.00 52.55 55.43 1wxr s ASP 49 Cb -0.14 -2.16 0.28 0.00 -1.45 0.00 0.00 42.92 39.45 1wxr s ASP 49 CO 0.54 -0.12 1.23 0.49 0.13 0.00 0.00 175.17 177.44 1wxr n PHE 50 N 5.17 0.43 0.08 -5.34 0.99 -1.26 -4.54 117.46 113.00 1wxr n PHE 50 Ca -0.12 -0.21 0.20 0.00 -0.00 0.00 0.00 57.45 57.32 1wxr n PHE 50 Cb 0.51 -0.01 0.75 0.00 -1.00 0.00 0.00 39.48 39.73 1wxr n PHE 50 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1wxr h SER 51 N 1.84 0.00 1.04 4.37 0.02 -1.93 0.15 113.55 119.04 1wxr h SER 51 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wxr h SER 51 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1wxr h SER 51 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 1wxr h ALA 52 N 1.54 1.00 -2.42 3.77 0.00 -1.80 -3.41 119.26 117.94 1wxr h ALA 52 Ca 0.20 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.57 1wxr h ALA 52 Cb 1.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1wxr h ALA 52 CO -0.00 0.00 0.45 0.08 0.00 0.00 0.00 179.25 179.78 1wxr s VAL 53 N -3.35 4.58 0.16 0.00 1.01 0.53 -0.59 120.40 122.74 1wxr s VAL 53 Ca 0.05 1.85 -0.33 0.00 0.00 0.00 0.00 61.98 63.55 1wxr s VAL 53 Cb 0.09 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 32.13 1wxr s VAL 53 CO 0.49 0.13 1.08 -0.90 0.00 0.00 0.00 175.10 175.90 1wxr n ASP 54 N 4.00 0.91 0.23 3.32 5.75 0.88 -4.74 116.55 126.90 1wxr n ASP 54 Ca 0.07 1.14 0.07 0.00 -0.01 0.00 0.00 54.79 56.07 1wxr n ASP 54 Cb 0.49 -1.16 0.59 0.00 -1.03 0.00 0.00 41.12 40.02 1wxr n ASP 54 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1wxr h SER 55 N 3.02 0.05 0.00 -1.12 0.87 -0.39 -3.08 113.55 112.90 1wxr h SER 55 Ca -0.42 -0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 59.77 1wxr h SER 55 Cb 1.36 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 63.25 1wxr h SER 55 CO 0.68 0.07 -2.25 -0.62 -0.53 0.00 0.00 176.83 174.17 1wxr n GLU 56 N -4.49 0.49 0.00 2.24 -0.58 -1.26 -4.75 120.64 112.28 1wxr n GLU 56 Ca -0.02 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1wxr n GLU 56 Cb 0.12 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1wxr n GLU 56 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1wxr n ILE 57 N -3.82 0.00 -3.61 -3.67 -5.35 -1.26 -4.77 119.36 96.89 1wxr n ILE 57 Ca -0.43 -0.27 -0.27 0.00 -0.27 0.00 0.00 62.75 61.51 1wxr n ILE 57 Cb 0.83 1.34 0.01 0.00 -1.74 0.00 0.00 39.64 40.08 1wxr n ILE 57 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wxr n GLY 58 N 0.14 -0.49 0.04 3.28 0.00 -1.16 -3.01 105.19 103.99 1wxr n GLY 58 Ca 0.00 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1wxr n GLY 58 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wxr n VAL 59 N -4.27 0.20 -4.27 1.61 0.24 -1.26 -4.06 118.33 106.52 1wxr n VAL 59 Ca 0.01 -0.23 -0.17 0.00 -2.04 0.00 0.00 64.34 61.90 1wxr n VAL 59 Cb 0.54 0.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.90 1wxr n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wxr s ALA 60 N -3.17 0.73 -0.09 2.33 0.00 -1.26 -4.04 121.76 116.26 1wxr s ALA 60 Ca 0.05 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1wxr s ALA 60 Cb 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1wxr s ALA 60 CO 0.77 0.14 -0.16 0.99 0.00 0.00 0.00 175.76 177.50 1wxr s THR 61 N -0.51 1.49 -0.05 0.00 2.01 -0.71 -0.09 115.64 117.79 1wxr s THR 61 Ca 0.01 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1wxr s THR 61 Cb -0.05 -1.34 -0.06 0.00 0.01 0.00 0.00 72.50 71.06 1wxr s THR 61 CO 0.00 0.44 1.68 -0.22 -0.69 0.00 0.00 174.62 175.82 1wxr s LEU 62 N 0.71 4.33 0.00 4.42 2.96 0.24 -0.34 118.68 131.00 1wxr s LEU 62 Ca -0.13 2.26 0.02 0.00 -0.22 0.00 0.00 54.13 56.07 1wxr s LEU 62 Cb -0.16 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1wxr s LEU 62 CO 0.03 -0.94 0.66 2.30 -1.32 0.00 0.00 176.35 177.08 1wxr n ILE 63 N 5.49 0.21 -3.53 6.68 -0.00 0.67 -1.83 119.36 127.06 1wxr n ILE 63 Ca 0.17 -0.61 -0.14 0.00 -0.00 0.00 0.00 62.75 62.18 1wxr n ILE 63 Cb 0.43 0.92 -0.05 0.00 -0.00 0.00 0.00 39.64 40.94 1wxr n ILE 63 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1wxr s ASN 64 N -0.33 -0.53 0.62 7.28 3.84 -1.09 -4.78 114.94 119.95 1wxr s ASN 64 Ca 0.02 0.47 0.24 0.00 0.21 0.00 0.00 52.86 53.80 1wxr s ASN 64 Cb 0.02 0.45 1.30 0.00 -0.55 0.00 0.00 41.25 42.47 1wxr s ASN 64 CO 0.02 -0.56 1.72 -0.65 -2.79 0.00 0.00 177.10 174.84 1wxr h PRO 65 N 2.65 0.00 0.00 0.43 0.11 -1.95 -1.78 132.00 131.46 1wxr h PRO 65 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1wxr h PRO 65 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wxr h PRO 65 CO 0.35 0.00 -0.01 0.94 -0.21 0.00 0.00 178.00 179.07 1wxr n GLN 66 N -2.73 2.29 -3.97 1.05 7.27 -1.26 -0.25 117.38 119.78 1wxr n GLN 66 Ca -0.02 -1.48 -0.16 0.00 0.07 0.00 0.00 57.00 55.41 1wxr n GLN 66 Cb 0.46 -0.98 -0.15 0.00 2.41 0.00 0.00 30.24 31.97 1wxr n GLN 66 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1wxr s TYR 67 N -1.07 0.30 0.27 3.69 1.51 -0.67 -0.75 117.35 120.63 1wxr s TYR 67 Ca 0.04 -0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1wxr s TYR 67 Cb 0.03 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1wxr s TYR 67 CO 0.00 -0.08 0.11 0.96 -1.11 0.00 0.00 175.55 175.43 1wxr s ILE 68 N 0.63 3.89 -0.07 2.71 -4.36 -1.01 -0.24 121.20 122.75 1wxr s ILE 68 Ca -0.06 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.74 1wxr s ILE 68 Cb -0.09 -3.13 -0.00 0.00 1.25 0.00 0.00 42.46 40.48 1wxr s ILE 68 CO -0.01 -0.34 -0.23 0.00 0.24 0.00 0.00 174.94 174.60 1wxr s ALA 69 N -2.24 2.05 0.00 2.27 0.00 0.54 -2.95 121.76 121.42 1wxr s ALA 69 Ca 0.33 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1wxr s ALA 69 Cb -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1wxr s ALA 69 CO 0.23 0.34 0.00 0.45 0.00 0.00 0.00 175.76 176.77 1wxr n SER 70 N 3.24 0.00 -4.41 0.00 2.88 -0.43 -1.73 113.62 113.18 1wxr n SER 70 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.03 1wxr n SER 70 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 1wxr n SER 70 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wxr s VAL 71 N -1.67 2.85 0.29 2.46 0.11 -1.26 -1.13 120.40 122.06 1wxr s VAL 71 Ca 0.00 -0.78 0.12 0.00 -2.93 0.00 0.00 61.98 58.39 1wxr s VAL 71 Cb 0.00 -2.12 0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1wxr s VAL 71 CO 0.00 0.57 1.69 0.07 -3.33 0.00 0.00 175.10 174.10 1wxr h LYS 72 N 5.82 0.00 0.00 1.54 2.10 -1.73 -2.16 116.57 122.14 1wxr h LYS 72 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1wxr h LYS 72 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1wxr h LYS 72 CO 0.51 0.52 0.00 -2.39 -2.00 0.00 0.00 179.45 176.09 1wxr n HIS 73 N -3.85 0.00 -2.52 0.07 1.44 -1.26 -3.50 115.22 105.59 1wxr n HIS 73 Ca -0.01 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.27 1wxr n HIS 73 Cb 0.54 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.61 1wxr n HIS 73 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wxr n ASN 74 N -1.04 4.85 0.04 4.39 3.02 -0.81 -4.78 115.26 120.93 1wxr n ASN 74 Ca 0.13 -2.92 0.12 0.00 -0.03 0.00 0.00 54.58 51.88 1wxr n ASN 74 Cb 0.07 -1.72 0.19 0.00 -0.61 0.00 0.00 39.78 37.70 1wxr n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxr n GLY 75 N 5.13 -1.35 0.06 7.41 0.00 -1.23 -4.59 105.19 110.62 1wxr n GLY 75 Ca 0.48 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1wxr n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wxr h GLY 76 N 4.66 0.00 -3.83 -0.02 0.00 -1.92 -3.47 103.07 98.49 1wxr h GLY 76 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1wxr h GLY 76 CO 0.00 0.00 0.71 -2.52 0.00 0.00 0.00 176.54 174.73 1wxr s TYR 77 N -1.79 2.73 0.00 5.60 -0.85 -1.26 -4.95 117.35 116.84 1wxr s TYR 77 Ca -0.06 1.27 0.00 0.00 -0.52 0.00 0.00 57.07 57.76 1wxr s TYR 77 Cb -0.00 -3.88 0.00 0.00 0.38 0.00 0.00 41.96 38.46 1wxr s TYR 77 CO 0.20 -2.56 0.00 0.25 -1.52 0.00 0.00 175.55 171.92 1wxr n THR 78 N 0.47 0.00 -4.53 -3.49 -2.24 -1.26 -4.96 114.28 98.26 1wxr n THR 78 Ca 0.01 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1wxr n THR 78 Cb 0.41 0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 69.21 1wxr n THR 78 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wxr s ASN 79 N -1.01 3.25 0.02 3.42 0.01 -1.26 -0.95 114.94 118.43 1wxr s ASN 79 Ca 0.00 -0.70 0.01 0.00 -0.71 0.00 0.00 52.86 51.46 1wxr s ASN 79 Cb 0.00 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.41 1wxr s ASN 79 CO 0.00 0.20 -0.05 0.54 -1.51 0.00 0.00 177.10 176.28 1wxr s VAL 80 N -0.99 0.33 0.21 1.60 0.11 0.78 -4.96 120.40 117.48 1wxr s VAL 80 Ca 0.13 -0.72 0.09 0.00 -2.93 0.00 0.00 61.98 58.56 1wxr s VAL 80 Cb -0.10 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1wxr s VAL 80 CO 0.05 -0.26 -0.18 -0.44 -3.33 0.00 0.00 175.10 170.94 1wxr s SER 81 N -1.04 2.94 0.13 3.54 0.01 -1.26 -1.33 113.70 116.68 1wxr s SER 81 Ca -0.08 -0.97 0.04 0.00 1.31 0.00 0.00 55.95 56.25 1wxr s SER 81 Cb -0.07 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1wxr s SER 81 CO -0.00 -0.06 -0.10 -0.36 0.41 0.00 0.00 173.24 173.13 1wxr s PHE 82 N -2.53 1.19 0.00 2.43 0.08 -1.26 0.39 117.98 118.29 1wxr s PHE 82 Ca 0.23 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1wxr s PHE 82 Cb -0.04 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 1wxr s PHE 82 CO 0.09 0.05 0.00 0.41 -0.10 0.00 0.00 175.22 175.67 1wxr n GLY 83 N 0.10 1.68 1.49 4.36 0.00 -1.26 -1.33 105.19 110.24 1wxr n GLY 83 Ca -0.13 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1wxr n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wxr n ASP 84 N 9.86 4.38 0.00 1.61 3.85 -1.26 -4.86 116.55 130.12 1wxr n ASP 84 Ca 0.00 -2.20 0.00 0.00 -0.71 0.00 0.00 54.79 51.88 1wxr n ASP 84 Cb 0.00 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.23 1wxr n ASP 84 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wxr n GLY 85 N 1.45 2.37 2.26 6.12 0.00 -0.44 -4.52 105.19 112.43 1wxr n GLY 85 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1wxr n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wxr n GLU 86 N -2.00 3.16 -3.79 1.61 2.13 -1.26 -4.75 120.64 115.73 1wxr n GLU 86 Ca 0.00 -1.84 -0.04 0.00 0.66 0.00 0.00 57.16 55.94 1wxr n GLU 86 Cb 0.00 -2.57 -0.01 0.00 0.27 0.00 0.00 31.44 29.13 1wxr n GLU 86 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1wxr s ASN 87 N 2.21 -0.15 -0.10 4.31 2.20 -1.26 -4.99 114.94 117.16 1wxr s ASN 87 Ca 0.67 -0.53 -0.06 0.00 -0.94 0.00 0.00 52.86 52.01 1wxr s ASN 87 Cb 0.21 0.55 0.04 0.00 -2.00 0.00 0.00 41.25 40.05 1wxr s ASN 87 CO -0.04 -1.04 0.23 -0.13 -2.94 0.00 0.00 177.10 173.18 1wxr s ARG 88 N -3.17 0.21 -0.06 3.55 3.00 -1.26 -4.53 118.95 116.69 1wxr s ARG 88 Ca 0.14 0.47 0.02 0.00 0.00 0.00 0.00 55.73 56.36 1wxr s ARG 88 Cb -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 34.95 34.87 1wxr s ARG 88 CO 0.04 -0.14 -0.08 0.71 0.00 0.00 0.00 175.30 175.83 1wxr s TYR 89 N 1.03 1.15 -0.15 -0.53 1.51 -0.44 -4.98 117.35 114.94 1wxr s TYR 89 Ca -0.07 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.51 1wxr s TYR 89 Cb -0.09 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1wxr s TYR 89 CO -0.07 -0.26 0.11 -0.80 -1.11 0.00 0.00 175.55 173.43 1wxr s ASN 90 N 0.86 6.10 0.29 2.29 -0.87 -1.26 -0.16 114.94 122.19 1wxr s ASN 90 Ca -0.12 0.31 -0.29 0.00 -1.57 0.00 0.00 52.86 51.19 1wxr s ASN 90 Cb -0.15 -2.00 -0.10 0.00 -0.02 0.00 0.00 41.25 38.98 1wxr s ASN 90 CO 0.01 0.30 1.39 -0.63 -2.57 0.00 0.00 177.10 175.61 1wxr s ILE 91 N -0.40 2.63 0.00 0.60 1.09 -0.12 -1.30 121.20 123.71 1wxr s ILE 91 Ca 0.11 0.58 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 1wxr s ILE 91 Cb -0.12 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 1wxr s ILE 91 CO 0.01 0.12 0.00 0.52 -0.10 0.00 0.00 174.94 175.49 1wxr n VAL 92 N 1.53 0.00 -3.40 2.92 0.31 0.72 -4.89 118.33 115.52 1wxr n VAL 92 Ca 0.03 -0.02 -0.05 0.00 -0.01 0.00 0.00 64.34 64.30 1wxr n VAL 92 Cb 0.41 0.45 -0.06 0.00 -0.91 0.00 0.00 33.84 33.73 1wxr n VAL 92 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wxr s ASP 93 N -1.67 -0.40 0.33 4.52 -1.08 -1.17 -4.59 116.67 112.62 1wxr s ASP 93 Ca 0.00 0.69 -0.29 0.00 -0.52 0.00 0.00 52.55 52.43 1wxr s ASP 93 Cb 0.00 1.54 -0.10 0.00 -1.46 0.00 0.00 42.92 42.90 1wxr s ASP 93 CO 0.00 -0.27 1.30 -0.13 0.52 0.00 0.00 175.17 176.59 1wxr s ARG 94 N 2.67 4.37 -0.66 4.34 0.52 -1.26 -0.79 118.95 128.14 1wxr s ARG 94 Ca 0.10 2.20 0.06 0.00 -0.52 0.00 0.00 55.73 57.56 1wxr s ARG 94 Cb -0.14 -3.08 0.21 0.00 0.52 0.00 0.00 34.95 32.47 1wxr s ARG 94 CO -0.17 -0.17 0.63 0.09 0.02 0.00 0.00 175.30 175.70 1wxr n ASN 95 N 0.81 3.30 -4.69 0.23 3.02 -1.26 -4.84 115.26 111.83 1wxr n ASN 95 Ca -0.00 -3.31 -0.42 0.00 -0.03 0.00 0.00 54.58 50.82 1wxr n ASN 95 Cb 0.42 -0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1wxr n ASN 95 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1wxr s ASN 96 N -1.98 6.77 0.41 6.41 0.01 -1.26 -2.15 114.94 123.14 1wxr s ASN 96 Ca 0.33 2.25 -0.27 0.00 -0.71 0.00 0.00 52.86 54.46 1wxr s ASN 96 Cb 0.07 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 39.06 1wxr s ASN 96 CO -0.09 -0.77 1.47 0.00 -1.51 0.00 0.00 177.10 176.21 1wxr s ALA 97 N 2.37 3.46 0.15 0.60 0.00 0.49 -4.95 121.76 123.88 1wxr s ALA 97 Ca 0.67 1.55 0.01 0.00 0.00 0.00 0.00 51.96 54.19 1wxr s ALA 97 Cb -0.34 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.10 1wxr s ALA 97 CO 0.28 -1.13 1.33 -1.35 0.00 0.00 0.00 175.76 174.90 1wxr h PRO 98 N 2.74 0.24 -0.63 0.00 0.11 -1.94 -3.37 132.00 129.14 1wxr h PRO 98 Ca -0.51 -0.28 -0.32 0.00 0.11 0.00 0.00 66.00 65.01 1wxr h PRO 98 Cb 1.25 0.08 -0.40 0.00 0.11 0.00 0.00 31.00 32.04 1wxr h PRO 98 CO 0.63 1.01 -1.09 -1.13 -0.21 0.00 0.00 178.00 177.21 1wxr n SER 99 N -3.65 2.05 -3.89 -2.05 3.41 -1.26 -5.03 113.62 103.20 1wxr n SER 99 Ca -0.05 -2.43 -0.11 0.00 -0.26 0.00 0.00 58.87 56.02 1wxr n SER 99 Cb 0.84 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 1wxr n SER 99 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wxr s LEU 100 N -3.63 1.68 -1.23 1.04 0.20 -1.26 -5.06 118.68 110.43 1wxr s LEU 100 Ca 0.31 -0.30 -0.14 0.00 0.69 0.00 0.00 54.13 54.69 1wxr s LEU 100 Cb 0.36 0.59 0.16 0.00 -0.43 0.00 0.00 46.19 46.88 1wxr s LEU 100 CO -0.02 -0.39 1.49 -0.67 -0.29 0.00 0.00 176.35 176.47 1wxr n ASP 101 N 1.35 5.18 -3.63 3.68 2.03 -1.26 -4.47 116.55 119.43 1wxr n ASP 101 Ca -0.22 -2.98 -0.15 0.00 0.52 0.00 0.00 54.79 51.96 1wxr n ASP 101 Cb 0.56 -1.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.30 1wxr n ASP 101 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1wxr s PHE 102 N 1.83 -0.66 0.07 -0.67 2.19 -1.26 -4.08 117.98 115.39 1wxr s PHE 102 Ca 0.44 1.50 -0.05 0.00 0.33 0.00 0.00 56.93 59.15 1wxr s PHE 102 Cb -0.02 0.27 -0.02 0.00 -1.31 0.00 0.00 43.02 41.95 1wxr s PHE 102 CO 0.01 -0.41 0.09 -3.38 1.83 0.00 0.00 175.22 173.36 1wxr s HIS 103 N -0.12 0.31 -0.49 10.12 -3.43 -0.28 -0.38 115.29 121.02 1wxr s HIS 103 Ca -0.03 -0.78 0.07 0.00 -0.80 0.00 0.00 55.06 53.52 1wxr s HIS 103 Cb -0.03 -0.21 0.23 0.00 -1.43 0.00 0.00 32.58 31.14 1wxr s HIS 103 CO 0.03 -0.45 0.56 0.00 -2.00 0.00 0.00 174.74 172.88 1wxr n ALA 104 N 0.12 3.04 -1.66 -1.38 0.00 -0.92 -1.31 120.51 118.40 1wxr n ALA 104 Ca -0.15 -3.85 -0.43 0.00 0.00 0.00 0.00 53.44 49.00 1wxr n ALA 104 Cb 0.61 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 1wxr n ALA 104 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wxr n PRO 105 N 1.46 1.89 -2.99 0.00 -0.02 -1.15 -4.22 135.00 129.97 1wxr n PRO 105 Ca 0.25 0.66 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 1wxr n PRO 105 Cb 0.48 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 1wxr n PRO 105 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1wxr s ARG 106 N -1.73 4.39 0.70 -0.52 3.52 0.03 -2.42 118.95 122.92 1wxr s ARG 106 Ca 0.57 0.93 -0.11 0.00 -0.13 0.00 0.00 55.73 56.99 1wxr s ARG 106 Cb -0.61 -3.50 0.02 0.00 -1.56 0.00 0.00 34.95 29.31 1wxr s ARG 106 CO 0.61 -0.08 1.08 -0.51 -0.81 0.00 0.00 175.30 175.59 1wxr s LEU 107 N 1.29 2.89 0.39 -0.88 1.43 0.07 -0.20 118.68 123.67 1wxr s LEU 107 Ca 0.38 0.99 0.21 0.00 -1.03 0.00 0.00 54.13 54.68 1wxr s LEU 107 Cb -0.17 -3.75 0.39 0.00 0.03 0.00 0.00 46.19 42.69 1wxr s LEU 107 CO 0.17 -1.39 1.61 -2.24 0.23 0.00 0.00 176.35 174.72 1wxr h ASP 108 N -0.64 0.00 -5.12 2.29 -0.00 -1.53 -3.44 116.42 107.98 1wxr h ASP 108 Ca -0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 56.47 1wxr h ASP 108 Cb 1.27 0.00 -0.16 0.00 -0.00 0.00 0.00 39.33 40.44 1wxr h ASP 108 CO 0.64 0.21 -0.45 -0.54 -0.00 0.00 0.00 179.24 179.09 1wxr s LYS 109 N -3.21 0.71 0.20 4.15 -0.14 -1.26 -4.26 119.74 115.94 1wxr s LYS 109 Ca 0.05 -0.84 -0.30 0.00 -1.36 0.00 0.00 55.97 53.52 1wxr s LYS 109 Cb 0.07 0.28 -0.08 0.00 -1.68 0.00 0.00 37.83 36.42 1wxr s LYS 109 CO 0.68 -0.20 1.03 -0.51 -0.76 0.00 0.00 175.35 175.59 1wxr s LEU 110 N -2.47 4.55 -0.01 3.17 1.43 -0.79 -4.70 118.68 119.85 1wxr s LEU 110 Ca -0.00 2.03 -0.25 0.00 -1.03 0.00 0.00 54.13 54.87 1wxr s LEU 110 Cb 0.02 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1wxr s LEU 110 CO -0.07 -0.07 0.78 -0.69 0.23 0.00 0.00 176.35 176.53 1wxr s VAL 111 N -0.63 4.90 -0.09 -1.59 1.01 0.66 -4.94 120.40 119.73 1wxr s VAL 111 Ca 0.46 1.64 0.14 0.00 0.00 0.00 0.00 61.98 64.21 1wxr s VAL 111 Cb -0.28 -4.12 -0.20 0.00 0.00 0.00 0.00 36.38 31.77 1wxr s VAL 111 CO 0.34 0.27 0.18 0.35 0.00 0.00 0.00 175.10 176.24 1wxr n THR 112 N 3.47 0.53 0.08 3.92 -2.24 -1.26 -4.68 114.28 114.09 1wxr n THR 112 Ca -0.00 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1wxr n THR 112 Cb 0.51 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 1wxr n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1wxr h GLU 113 N 0.00 0.00 -4.48 -0.78 3.07 -1.89 -3.37 114.58 107.13 1wxr h GLU 113 Ca -0.21 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.45 1wxr h GLU 113 Cb 1.34 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.09 1wxr h GLU 113 CO 0.01 0.88 -0.70 0.14 -1.40 0.00 0.00 179.01 177.94 1wxr s VAL 114 N -2.76 0.50 0.19 3.13 -7.23 -1.26 -3.57 120.40 109.40 1wxr s VAL 114 Ca 0.02 -1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 1wxr s VAL 114 Cb 0.09 -1.34 -0.08 0.00 0.56 0.00 0.00 36.38 35.62 1wxr s VAL 114 CO 0.80 -0.79 0.62 0.00 -0.31 0.00 0.00 175.10 175.42 1wxr s ALA 115 N -3.13 3.51 0.73 1.32 0.00 -1.26 -4.95 121.76 117.97 1wxr s ALA 115 Ca 0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 1wxr s ALA 115 Cb 0.02 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.56 1wxr s ALA 115 CO -0.05 0.41 1.18 -1.25 0.00 0.00 0.00 175.76 176.06 1wxr s PRO 116 N -2.15 2.19 0.31 0.00 0.04 -1.26 -4.29 135.00 129.84 1wxr s PRO 116 Ca 0.42 1.67 -0.18 0.00 0.04 0.00 0.00 61.00 62.94 1wxr s PRO 116 Cb -0.15 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1wxr s PRO 116 CO 0.20 -1.78 0.78 -0.08 0.04 0.00 0.00 177.00 176.16 1wxr s THR 117 N -2.11 4.55 0.48 1.26 -1.32 -0.76 -4.98 115.64 112.77 1wxr s THR 117 Ca 0.72 1.22 -0.24 0.00 -1.21 0.00 0.00 61.69 62.19 1wxr s THR 117 Cb -0.27 -3.73 -0.07 0.00 -1.51 0.00 0.00 72.50 66.93 1wxr s THR 117 CO 0.46 -0.05 1.35 0.00 -2.21 0.00 0.00 174.62 174.17 1wxr s ALA 118 N -1.83 3.04 0.29 11.08 0.00 -1.26 -4.70 121.76 128.39 1wxr s ALA 118 Ca 0.51 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.86 1wxr s ALA 118 Cb -0.13 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1wxr s ALA 118 CO 0.18 -1.15 0.37 0.14 0.00 0.00 0.00 175.76 175.30 1wxr s VAL 119 N -1.29 4.40 0.12 0.00 -7.23 -1.26 -0.83 120.40 114.31 1wxr s VAL 119 Ca 0.65 -1.11 -0.35 0.00 -1.81 0.00 0.00 61.98 59.36 1wxr s VAL 119 Cb -0.40 -3.51 -0.16 0.00 0.56 0.00 0.00 36.38 32.87 1wxr s VAL 119 CO 0.49 -0.24 1.23 1.07 -0.31 0.00 0.00 175.10 177.35 1wxr n THR 120 N -1.47 0.42 0.18 5.32 5.66 0.16 -4.64 114.28 119.91 1wxr n THR 120 Ca -0.04 -0.10 0.05 0.00 -3.05 0.00 0.00 64.05 60.90 1wxr n THR 120 Cb 0.58 -0.77 0.32 0.00 -1.55 0.00 0.00 70.33 68.91 1wxr n THR 120 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wxr h ALA 121 N 3.90 0.99 -3.15 1.79 0.00 -1.97 -3.42 119.26 117.40 1wxr h ALA 121 Ca -0.46 -0.36 -0.68 0.00 0.00 0.00 0.00 54.91 53.41 1wxr h ALA 121 Cb 1.35 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1wxr h ALA 121 CO 0.73 0.50 -0.59 -0.65 0.00 0.00 0.00 179.25 179.25 1wxr s GLN 122 N -3.61 3.09 0.00 0.00 -0.21 -1.26 -5.10 119.66 112.57 1wxr s GLN 122 Ca -0.00 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1wxr s GLN 122 Cb 0.11 -2.89 0.00 0.00 1.00 0.00 0.00 33.01 31.23 1wxr s GLN 122 CO 0.70 0.72 0.00 0.41 -2.12 0.00 0.00 175.29 174.99 1wxr n GLY 123 N 2.06 0.60 3.11 3.09 0.00 -1.26 -4.76 105.19 108.03 1wxr n GLY 123 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1wxr n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr n ALA 124 N -3.00 2.83 -3.11 4.61 0.00 -1.26 -4.88 120.51 115.69 1wxr n ALA 124 Ca 0.00 -2.79 -0.37 0.00 0.00 0.00 0.00 53.44 50.28 1wxr n ALA 124 Cb 0.00 -3.50 -0.12 0.00 0.00 0.00 0.00 19.45 15.82 1wxr n ALA 124 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wxr s VAL 125 N 5.21 4.12 0.13 0.00 1.01 -1.26 -4.52 120.40 125.10 1wxr s VAL 125 Ca 0.54 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 1wxr s VAL 125 Cb 0.13 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 33.34 1wxr s VAL 125 CO 0.14 0.15 1.84 0.00 0.00 0.00 0.00 175.10 177.23 1wxr s ALA 126 N 1.54 3.78 0.00 5.51 0.00 -1.26 -2.24 121.76 129.09 1wxr s ALA 126 Ca 0.04 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1wxr s ALA 126 Cb -0.17 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1wxr s ALA 126 CO 0.03 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1wxr n GLY 127 N 4.24 0.89 0.31 0.00 0.00 -1.26 -4.93 105.19 104.44 1wxr n GLY 127 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1wxr n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr h ALA 128 N 0.00 1.23 -0.01 4.61 0.00 -1.78 -2.73 119.26 120.58 1wxr h ALA 128 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wxr h ALA 128 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wxr h ALA 128 CO 0.00 0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.02 1wxr n TYR 129 N -4.73 0.00 0.16 0.00 4.02 -1.26 -2.49 117.16 112.86 1wxr n TYR 129 Ca 0.14 -0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.12 1wxr n TYR 129 Cb 0.29 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.69 1wxr n TYR 129 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1wxr h LEU 130 N 0.86 0.00 -8.38 7.72 5.85 -1.08 -3.00 115.31 117.28 1wxr h LEU 130 Ca 0.00 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.21 1wxr h LEU 130 Cb 0.18 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1wxr h LEU 130 CO 0.00 0.16 1.19 -0.62 -0.34 0.00 0.00 178.44 178.83 1wxr s ASP 131 N -6.03 5.72 0.00 1.25 3.68 -1.04 -4.86 116.67 115.39 1wxr s ASP 131 Ca 0.04 -0.22 0.24 0.00 2.13 0.00 0.00 52.55 54.74 1wxr s ASP 131 Cb 0.07 -2.55 1.36 0.00 -1.45 0.00 0.00 42.92 40.35 1wxr s ASP 131 CO 0.73 -2.12 1.82 0.29 0.13 0.00 0.00 175.17 176.01 1wxr n LYS 132 N 9.21 0.58 0.10 4.34 5.02 -1.26 -0.93 118.16 135.22 1wxr n LYS 132 Ca 0.16 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.25 1wxr n LYS 132 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 1wxr n LYS 132 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1wxr h GLU 133 N 0.00 0.42 0.01 1.97 5.08 -1.97 -3.01 114.58 117.08 1wxr h GLU 133 Ca 0.00 -0.73 -0.10 0.00 -1.00 0.00 0.00 59.36 57.54 1wxr h GLU 133 Cb 0.10 0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wxr h GLU 133 CO 0.00 1.35 -0.38 -0.09 -1.00 0.00 0.00 179.01 178.89 1wxr h ARG 134 N -0.05 0.24 -2.94 2.33 1.12 -1.86 -3.42 114.38 109.79 1wxr h ARG 134 Ca -0.24 -0.27 -0.61 0.00 -1.11 0.00 0.00 59.98 57.74 1wxr h ARG 134 Cb 1.97 0.08 -0.41 0.00 -0.01 0.00 0.00 29.97 31.60 1wxr h ARG 134 CO 0.21 0.99 -0.70 0.71 -3.11 0.00 0.00 179.97 178.07 1wxr s TYR 135 N -3.08 2.69 -1.74 2.20 1.51 -0.11 -0.20 117.35 118.63 1wxr s TYR 135 Ca -0.15 -2.93 0.26 0.00 -1.01 0.00 0.00 57.07 53.24 1wxr s TYR 135 Cb 0.01 -2.18 1.43 0.00 -0.11 0.00 0.00 41.96 41.12 1wxr s TYR 135 CO 0.77 -0.67 1.89 -0.35 -1.11 0.00 0.00 175.55 176.07 1wxr n PRO 136 N 2.57 0.61 -3.64 -1.71 -0.04 -1.14 -4.20 135.00 127.47 1wxr n PRO 136 Ca 0.18 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1wxr n PRO 136 Cb 0.37 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1wxr n PRO 136 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wxr s VAL 137 N -2.26 0.00 -0.03 0.52 0.11 -1.26 -4.97 120.40 112.50 1wxr s VAL 137 Ca 0.32 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1wxr s VAL 137 Cb 0.18 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1wxr s VAL 137 CO 0.34 0.00 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.56 1wxr s PHE 138 N 0.67 1.77 0.09 1.54 0.08 -1.25 -2.80 117.98 118.09 1wxr s PHE 138 Ca -0.02 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.66 1wxr s PHE 138 Cb -0.05 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.20 1wxr s PHE 138 CO -0.07 -0.11 -0.17 0.71 -0.10 0.00 0.00 175.22 175.48 1wxr s TYR 139 N -0.19 1.47 0.31 0.36 1.51 -0.52 -2.49 117.35 117.79 1wxr s TYR 139 Ca 0.01 -0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 1wxr s TYR 139 Cb -0.10 -0.80 -0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1wxr s TYR 139 CO 0.01 0.13 0.44 -0.98 -1.11 0.00 0.00 175.55 174.04 1wxr s ARG 140 N -1.95 1.78 0.04 -0.62 1.70 -0.25 -0.59 118.95 119.05 1wxr s ARG 140 Ca 0.03 -1.67 -0.27 0.00 -0.47 0.00 0.00 55.73 53.35 1wxr s ARG 140 Cb -0.09 0.43 0.08 0.00 -0.57 0.00 0.00 34.95 34.79 1wxr s ARG 140 CO 0.03 -0.72 0.69 -0.48 -1.08 0.00 0.00 175.30 173.73 1wxr s LEU 141 N -3.20 -0.57 0.01 -1.89 2.34 -1.25 -1.50 118.68 112.62 1wxr s LEU 141 Ca 0.30 0.30 -0.29 0.00 0.06 0.00 0.00 54.13 54.50 1wxr s LEU 141 Cb 0.00 2.47 0.11 0.00 -0.56 0.00 0.00 46.19 48.21 1wxr s LEU 141 CO 0.18 -0.76 1.24 -0.83 -1.06 0.00 0.00 176.35 175.12 1wxr s GLY 142 N -2.02 -0.30 -0.23 -3.48 0.00 0.07 -4.03 107.32 97.33 1wxr s GLY 142 Ca -0.03 0.44 0.12 0.00 0.00 0.00 0.00 44.72 45.24 1wxr s GLY 142 CO -0.03 1.38 1.33 -1.14 0.00 0.00 0.00 173.10 174.64 1wxr n SER 143 N -0.66 2.30 -4.56 1.64 3.41 -1.16 -1.24 113.62 113.35 1wxr n SER 143 Ca -0.06 -3.67 -0.29 0.00 -0.26 0.00 0.00 58.87 54.60 1wxr n SER 143 Cb 0.62 -0.56 0.22 0.00 -0.26 0.00 0.00 64.21 64.23 1wxr n SER 143 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wxr s GLY 144 N -2.79 1.60 -0.23 5.00 0.00 -1.25 0.78 107.32 110.43 1wxr s GLY 144 Ca 0.40 0.14 -0.37 0.00 0.00 0.00 0.00 44.72 44.90 1wxr s GLY 144 CO -0.02 0.75 1.13 2.41 0.00 0.00 0.00 173.10 177.38 1wxr n THR 145 N -4.68 0.00 -3.56 0.90 -1.04 0.20 -1.07 114.28 105.03 1wxr n THR 145 Ca 0.06 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.67 1wxr n THR 145 Cb 0.53 -0.23 -0.11 0.00 -1.82 0.00 0.00 70.33 68.71 1wxr n THR 145 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1wxr s GLN 146 N 1.38 3.26 0.24 -2.82 -1.52 -0.36 0.83 119.66 120.67 1wxr s GLN 146 Ca 0.82 -0.79 0.11 0.00 -1.95 0.00 0.00 55.36 53.55 1wxr s GLN 146 Cb -1.16 -3.75 -0.05 0.00 -0.22 0.00 0.00 33.01 27.83 1wxr s GLN 146 CO 0.59 -0.53 -0.17 0.71 -0.25 0.00 0.00 175.29 175.64 1wxr s TYR 147 N 1.66 2.40 0.16 0.91 2.02 -0.77 0.25 117.35 123.98 1wxr s TYR 147 Ca 0.05 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1wxr s TYR 147 Cb -0.18 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1wxr s TYR 147 CO 0.09 0.61 0.19 0.96 -1.57 0.00 0.00 175.55 175.83 1wxr s ILE 148 N -2.13 4.79 -0.05 2.71 -4.36 -0.33 -2.37 121.20 119.46 1wxr s ILE 148 Ca 0.27 -0.93 -0.00 0.00 -0.26 0.00 0.00 60.65 59.72 1wxr s ILE 148 Cb -0.07 -3.45 0.03 0.00 1.25 0.00 0.00 42.46 40.22 1wxr s ILE 148 CO 0.14 -0.10 -0.01 -0.75 0.24 0.00 0.00 174.94 174.47 1wxr s LYS 149 N -3.13 0.52 0.68 0.37 2.20 -0.02 -1.29 119.74 119.06 1wxr s LYS 149 Ca 0.32 0.07 -0.08 0.00 -0.36 0.00 0.00 55.97 55.92 1wxr s LYS 149 Cb -0.10 -0.76 0.04 0.00 -1.51 0.00 0.00 37.83 35.49 1wxr s LYS 149 CO 0.25 -0.20 1.01 0.16 -0.36 0.00 0.00 175.35 176.21 1wxr s ASP 150 N 1.45 5.14 0.47 1.43 3.84 -0.64 -2.42 116.67 125.94 1wxr s ASP 150 Ca -0.03 0.70 -0.23 0.00 -0.00 0.00 0.00 52.55 52.98 1wxr s ASP 150 Cb -0.13 -1.46 -0.07 0.00 -1.38 0.00 0.00 42.92 39.88 1wxr s ASP 150 CO -0.03 -1.42 1.23 -0.94 -0.00 0.00 0.00 175.17 174.02 1wxr s SER 151 N -4.43 5.98 0.00 2.11 1.04 -1.26 -0.91 113.70 116.23 1wxr s SER 151 Ca 0.58 2.47 0.00 0.00 0.48 0.00 0.00 55.95 59.48 1wxr s SER 151 Cb -0.11 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1wxr s SER 151 CO 0.47 -1.06 0.00 0.59 0.98 0.00 0.00 173.24 174.22 1wxr n ASN 152 N -0.51 0.00 -1.09 7.02 3.02 -1.26 -4.60 115.26 117.84 1wxr n ASN 152 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.51 1wxr n ASN 152 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 1wxr n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxr n GLY 153 N -2.00 0.52 3.67 7.41 0.00 -0.09 -4.98 105.19 109.72 1wxr n GLY 153 Ca 0.00 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1wxr n GLY 153 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wxr s GLN 154 N -3.82 4.28 -0.16 1.61 2.00 -1.24 -4.82 119.66 117.50 1wxr s GLN 154 Ca 0.00 0.99 -0.17 0.00 -2.00 0.00 0.00 55.36 54.17 1wxr s GLN 154 Cb 0.00 -3.58 -0.04 0.00 0.80 0.00 0.00 33.01 30.19 1wxr s GLN 154 CO 0.00 -0.34 0.45 -0.51 -0.50 0.00 0.00 175.29 174.40 1wxr s LEU 155 N 2.19 4.21 -0.24 3.68 1.43 -1.26 -1.62 118.68 127.08 1wxr s LEU 155 Ca 0.37 0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 54.07 1wxr s LEU 155 Cb -0.16 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 1wxr s LEU 155 CO 0.12 -0.05 0.12 -0.89 0.23 0.00 0.00 176.35 175.87 1wxr s THR 156 N 1.02 4.93 0.08 5.49 2.01 -0.41 -4.99 115.64 123.77 1wxr s THR 156 Ca 0.23 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1wxr s THR 156 Cb -0.15 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 1wxr s THR 156 CO 0.09 0.35 1.12 -0.75 -0.69 0.00 0.00 174.62 174.74 1wxr s LYS 157 N 1.16 4.51 -0.02 4.92 2.20 -1.26 -1.18 119.74 130.07 1wxr s LYS 157 Ca 0.06 1.67 0.11 0.00 -0.36 0.00 0.00 55.97 57.45 1wxr s LYS 157 Cb -0.14 -3.36 -0.18 0.00 -1.51 0.00 0.00 37.83 32.65 1wxr s LYS 157 CO 0.05 -0.11 0.25 -1.33 -0.36 0.00 0.00 175.35 173.84 1wxr n MET 158 N 3.50 0.34 -3.62 4.03 2.81 0.14 -4.96 117.12 119.36 1wxr n MET 158 Ca 0.06 -0.10 -0.04 0.00 -1.81 0.00 0.00 57.70 55.81 1wxr n MET 158 Cb 0.47 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.69 1wxr n MET 158 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wxr s GLY 159 N -3.30 -0.16 0.93 3.03 0.00 -1.16 -4.92 107.32 101.74 1wxr s GLY 159 Ca -0.04 2.07 -0.15 0.00 0.00 0.00 0.00 44.72 46.61 1wxr s GLY 159 CO 0.47 0.78 1.25 -0.32 0.00 0.00 0.00 173.10 175.28 1wxr s GLY 160 N -1.68 1.69 0.61 0.20 0.00 -1.26 -1.22 107.32 105.65 1wxr s GLY 160 Ca 0.08 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 1wxr s GLY 160 CO -0.05 -0.28 1.31 0.00 0.00 0.00 0.00 173.10 174.09 1wxr s ALA 161 N -3.67 2.53 -0.85 3.20 0.00 -1.26 -3.85 121.76 117.85 1wxr s ALA 161 Ca 0.69 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.90 1wxr s ALA 161 Cb -0.08 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1wxr s ALA 161 CO 0.52 -1.52 0.02 0.66 0.00 0.00 0.00 175.76 175.44 1wxr n TYR 162 N -1.61 -0.50 -0.06 0.00 4.01 0.23 -4.89 117.16 114.34 1wxr n TYR 162 Ca 0.14 0.01 -0.08 0.00 -0.16 0.00 0.00 57.90 57.81 1wxr n TYR 162 Cb 0.47 -2.44 -0.06 0.00 -0.31 0.00 0.00 39.34 37.00 1wxr n TYR 162 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1wxr n SER 163 N 0.06 3.01 -3.06 7.72 7.64 -1.25 -4.92 113.62 122.82 1wxr n SER 163 Ca -0.12 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.58 1wxr n SER 163 Cb 0.59 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.67 1wxr n SER 163 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1wxr s TRP 164 N -2.24 0.68 0.01 1.43 -2.14 -1.26 -5.10 118.94 110.31 1wxr s TRP 164 Ca -0.16 -1.10 0.02 0.00 2.66 0.00 0.00 56.10 57.53 1wxr s TRP 164 Cb 0.04 0.31 -0.04 0.00 -3.10 0.00 0.00 33.47 30.69 1wxr s TRP 164 CO 0.29 -1.34 -0.02 -0.51 -2.66 0.00 0.00 176.95 172.71 1wxr s LEU 165 N -3.17 3.38 0.01 -4.66 1.43 -1.26 -4.24 118.68 110.17 1wxr s LEU 165 Ca 0.24 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1wxr s LEU 165 Cb -0.03 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1wxr s LEU 165 CO 0.17 0.27 -0.06 0.42 0.23 0.00 0.00 176.35 177.38 1wxr s THR 166 N -1.07 0.45 0.13 5.49 -4.23 -0.38 -4.50 115.64 111.54 1wxr s THR 166 Ca 0.19 -0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1wxr s THR 166 Cb -0.11 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 73.26 1wxr s THR 166 CO 0.10 -0.03 0.08 -0.83 -0.54 0.00 0.00 174.62 173.39 1wxr s GLY 167 N -0.56 0.89 0.00 3.99 0.00 -1.01 -0.75 107.32 109.88 1wxr s GLY 167 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1wxr s GLY 167 CO -0.00 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 172.42 1wxr n GLY 168 N -0.09 -0.71 3.98 0.20 0.00 -0.56 -4.60 105.19 103.41 1wxr n GLY 168 Ca -0.06 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 1wxr n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wxr s THR 169 N -3.72 4.32 -0.08 2.61 -4.23 -0.32 -1.09 115.64 113.14 1wxr s THR 169 Ca 0.00 -0.96 -0.19 0.00 -1.18 0.00 0.00 61.69 59.36 1wxr s THR 169 Cb 0.00 -3.51 0.04 0.00 1.34 0.00 0.00 72.50 70.37 1wxr s THR 169 CO 0.00 -0.20 0.44 -0.69 -0.54 0.00 0.00 174.62 173.62 1wxr s VAL 170 N -2.16 0.03 0.79 2.29 1.01 -1.04 -2.15 120.40 119.17 1wxr s VAL 170 Ca 0.43 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 1wxr s VAL 170 Cb -0.09 -0.70 0.12 0.00 0.00 0.00 0.00 36.38 35.70 1wxr s VAL 170 CO 0.31 -0.12 1.11 -0.83 0.00 0.00 0.00 175.10 175.57 1wxr s GLY 171 N -0.77 1.72 0.73 4.51 0.00 -1.25 -3.82 107.32 108.44 1wxr s GLY 171 Ca -0.08 -1.16 -0.16 0.00 0.00 0.00 0.00 44.72 43.32 1wxr s GLY 171 CO 0.04 -0.61 0.90 1.44 0.00 0.00 0.00 173.10 174.87 1wxr n SER 172 N -3.17 0.19 -4.17 1.64 7.64 -1.26 -4.88 113.62 109.61 1wxr n SER 172 Ca 0.11 0.64 -0.24 0.00 1.01 0.00 0.00 58.87 60.40 1wxr n SER 172 Cb 0.60 -1.38 -0.15 0.00 -1.01 0.00 0.00 64.21 62.28 1wxr n SER 172 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wxr s LEU 173 N -2.75 2.07 0.35 -3.43 1.02 -1.14 -4.71 118.68 110.09 1wxr s LEU 173 Ca 0.72 -0.35 0.06 0.00 0.02 0.00 0.00 54.13 54.57 1wxr s LEU 173 Cb -0.34 -0.85 -0.01 0.00 0.02 0.00 0.00 46.19 45.01 1wxr s LEU 173 CO 0.52 0.18 0.50 -0.94 0.02 0.00 0.00 176.35 176.62 1wxr s SER 174 N -0.60 5.97 0.16 2.29 1.04 -0.54 -2.04 113.70 119.98 1wxr s SER 174 Ca 0.06 -0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.46 1wxr s SER 174 Cb -0.07 -1.31 -0.04 0.00 0.10 0.00 0.00 66.02 64.70 1wxr s SER 174 CO -0.00 -0.46 -0.02 -0.44 0.98 0.00 0.00 173.24 173.30 1wxr s SER 175 N -4.17 4.69 0.35 7.02 0.01 -1.26 -1.45 113.70 118.89 1wxr s SER 175 Ca 0.45 -0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.25 1wxr s SER 175 Cb -0.10 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.17 1wxr s SER 175 CO 0.32 0.11 0.57 -0.72 0.41 0.00 0.00 173.24 173.93 1wxr s TYR 176 N -1.62 0.76 -1.39 2.43 -0.85 -0.91 -4.83 117.35 110.94 1wxr s TYR 176 Ca 0.26 -1.13 -0.01 0.00 -0.52 0.00 0.00 57.07 55.67 1wxr s TYR 176 Cb -0.10 0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.45 1wxr s TYR 176 CO 0.18 -1.26 0.57 0.94 -1.52 0.00 0.00 175.55 174.45 1wxr n GLN 177 N -0.55 -4.03 -3.36 -3.49 7.27 -1.26 -2.16 117.38 109.80 1wxr n GLN 177 Ca -0.02 0.50 -0.19 0.00 0.07 0.00 0.00 57.00 57.36 1wxr n GLN 177 Cb 0.61 -4.85 0.06 0.00 2.41 0.00 0.00 30.24 28.47 1wxr n GLN 177 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1wxr n ASN 178 N -2.99 -5.41 0.00 1.69 3.02 -1.26 -1.48 115.26 108.83 1wxr n ASN 178 Ca -0.27 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1wxr n ASN 178 Cb 0.67 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1wxr n ASN 178 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxr n GLY 179 N -1.68 1.66 0.25 7.41 0.00 -1.16 -4.62 105.19 107.04 1wxr n GLY 179 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 1wxr n GLY 179 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wxr h GLU 180 N 1.33 0.00 -4.52 1.61 5.08 -1.24 -3.36 114.58 113.49 1wxr h GLU 180 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1wxr h GLU 180 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 1wxr h GLU 180 CO 0.00 0.00 -0.70 -1.64 -1.00 0.00 0.00 179.01 175.67 1wxr s MET 181 N -3.63 0.73 -0.01 2.33 -1.94 -0.92 -2.71 119.30 113.16 1wxr s MET 181 Ca 0.01 -1.22 -0.03 0.00 -1.71 0.00 0.00 55.69 52.74 1wxr s MET 181 Cb 0.09 -0.10 -0.00 0.00 2.01 0.00 0.00 34.83 36.83 1wxr s MET 181 CO 0.49 -0.04 0.06 -1.50 -0.01 0.00 0.00 175.02 174.02 1wxr s ILE 182 N -3.41 0.06 0.10 2.53 1.10 0.11 -2.14 121.20 119.55 1wxr s ILE 182 Ca 0.08 -0.46 -0.09 0.00 -0.51 0.00 0.00 60.65 59.67 1wxr s ILE 182 Cb 0.04 -0.24 -0.00 0.00 0.15 0.00 0.00 42.46 42.41 1wxr s ILE 182 CO -0.05 -0.25 0.20 -0.94 -2.11 0.00 0.00 174.94 171.78 1wxr s SER 183 N -0.79 0.11 0.16 4.50 1.04 -0.53 -0.14 113.70 118.06 1wxr s SER 183 Ca -0.09 -0.69 -0.18 0.00 0.48 0.00 0.00 55.95 55.47 1wxr s SER 183 Cb -0.05 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.46 1wxr s SER 183 CO 0.00 -0.75 0.50 0.28 0.98 0.00 0.00 173.24 174.25 1wxr s THR 184 N -3.88 0.04 -1.30 2.02 -1.32 -1.17 -1.46 115.64 108.56 1wxr s THR 184 Ca 0.07 -0.51 -0.10 0.00 -1.21 0.00 0.00 61.69 59.95 1wxr s THR 184 Cb 0.05 -1.28 0.16 0.00 -1.51 0.00 0.00 72.50 69.91 1wxr s THR 184 CO -0.09 -0.16 1.92 -1.54 -2.21 0.00 0.00 174.62 172.54 1wxr n SER 185 N -0.31 5.06 0.23 8.08 3.41 -1.26 -2.47 113.62 126.35 1wxr n SER 185 Ca -0.14 -3.09 0.12 0.00 -0.26 0.00 0.00 58.87 55.50 1wxr n SER 185 Cb 0.64 -1.49 0.40 0.00 -0.26 0.00 0.00 64.21 63.50 1wxr n SER 185 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wxr h SER 186 N 5.72 0.00 0.10 4.04 4.64 -1.85 -3.05 113.55 123.16 1wxr h SER 186 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1wxr h SER 186 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1wxr h SER 186 CO 1.65 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 178.36 1wxr n GLY 187 N 0.47 -0.72 2.87 -0.77 0.00 0.18 -4.08 105.19 103.14 1wxr n GLY 187 Ca 0.01 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1wxr n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wxr n LEU 188 N -1.78 6.61 0.00 0.99 4.77 -1.15 -4.80 117.00 121.64 1wxr n LEU 188 Ca 0.00 -4.44 0.08 0.00 -0.03 0.00 0.00 56.01 51.62 1wxr n LEU 188 Cb 0.04 -1.55 0.47 0.00 -2.33 0.00 0.00 43.42 40.05 1wxr n LEU 188 CO 0.06 1.22 0.75 1.33 -1.33 0.00 0.00 177.39 179.42 1wxr n VAL 189 N 4.08 0.00 0.40 4.08 0.24 -1.26 -1.77 118.33 124.10 1wxr n VAL 189 Ca 0.44 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.80 1wxr n VAL 189 Cb 0.38 -0.36 -0.08 0.00 -1.47 0.00 0.00 33.84 32.32 1wxr n VAL 189 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1wxr n PHE 190 N -0.79 0.00 -2.76 6.34 3.72 -1.26 -4.21 117.46 118.51 1wxr n PHE 190 Ca 0.12 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.08 1wxr n PHE 190 Cb 0.05 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1wxr n PHE 190 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wxr n ASP 191 N -1.47 5.14 0.02 4.37 -0.08 -0.73 -4.84 116.55 118.96 1wxr n ASP 191 Ca 0.01 -3.00 0.15 0.00 -1.51 0.00 0.00 54.79 50.44 1wxr n ASP 191 Cb 0.23 -1.57 0.62 0.00 2.34 0.00 0.00 41.12 42.74 1wxr n ASP 191 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1wxr h TYR 192 N 6.84 0.15 0.00 -0.67 0.05 -1.85 -1.10 116.97 120.39 1wxr h TYR 192 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 1wxr h TYR 192 Cb 0.81 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1wxr h TYR 192 CO 1.17 0.07 0.00 1.57 -1.05 0.00 0.00 178.16 179.92 1wxr h LYS 193 N 0.14 0.00 0.00 4.88 2.10 -1.88 -1.69 116.57 120.12 1wxr h LYS 193 Ca 0.22 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.57 1wxr h LYS 193 Cb 0.67 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.95 1wxr h LYS 193 CO -0.03 0.00 -2.12 -0.11 -2.00 0.00 0.00 179.45 175.19 1wxr n LEU 194 N -2.71 2.34 -0.41 7.07 7.94 -0.77 -4.66 117.00 125.80 1wxr n LEU 194 Ca 0.03 -0.08 0.04 0.00 -1.11 0.00 0.00 56.01 54.89 1wxr n LEU 194 Cb 0.39 -0.46 0.08 0.00 0.53 0.00 0.00 43.42 43.96 1wxr n LEU 194 CO 0.29 0.74 0.50 0.59 -1.11 0.00 0.00 177.39 178.40 1wxr n ASN 195 N -2.97 2.25 0.00 1.96 3.02 -0.49 -3.91 115.26 115.12 1wxr n ASN 195 Ca -0.33 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1wxr n ASN 195 Cb 0.90 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1wxr n ASN 195 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxr n GLY 196 N 0.33 -2.75 0.14 7.41 0.00 -0.64 -2.83 105.19 106.86 1wxr n GLY 196 Ca 0.07 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.53 1wxr n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr n ALA 197 N -0.45 1.64 -3.19 4.61 0.00 -1.26 -4.01 120.51 117.86 1wxr n ALA 197 Ca 0.00 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 1wxr n ALA 197 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 1wxr n ALA 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wxr n MET 198 N -2.28 1.00 -1.80 0.00 2.81 -1.26 -4.85 117.12 110.73 1wxr n MET 198 Ca 0.02 -3.41 -0.39 0.00 -1.81 0.00 0.00 57.70 52.11 1wxr n MET 198 Cb 0.23 -1.55 0.03 0.00 -0.71 0.00 0.00 33.22 31.22 1wxr n MET 198 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1wxr s PRO 199 N -1.99 3.31 -0.03 0.03 0.02 -1.26 -1.17 135.00 133.92 1wxr s PRO 199 Ca 0.38 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.55 1wxr s PRO 199 Cb 0.27 -2.37 0.02 0.00 0.02 0.00 0.00 34.50 32.44 1wxr s PRO 199 CO -0.09 -1.06 0.27 -1.50 -0.33 0.00 0.00 177.00 174.29 1wxr s ILE 200 N -1.28 0.05 -0.04 2.83 2.07 -0.91 -4.51 121.20 119.41 1wxr s ILE 200 Ca 0.68 -0.42 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 1wxr s ILE 200 Cb -0.41 -0.54 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 1wxr s ILE 200 CO 0.50 -0.23 -0.18 -0.47 -1.91 0.00 0.00 174.94 172.64 1wxr s TYR 201 N -1.04 1.75 0.01 3.50 5.04 -0.58 -4.71 117.35 121.31 1wxr s TYR 201 Ca -0.11 -0.47 -0.30 0.00 -2.44 0.00 0.00 57.07 53.75 1wxr s TYR 201 Cb -0.05 -1.17 -0.03 0.00 0.35 0.00 0.00 41.96 41.06 1wxr s TYR 201 CO 0.03 -0.14 1.00 0.20 -1.34 0.00 0.00 175.55 175.29 1wxr s GLY 202 N -0.07 2.88 0.45 8.97 0.00 -1.26 -0.85 107.32 117.43 1wxr s GLY 202 Ca -0.02 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.30 1wxr s GLY 202 CO 0.02 1.71 0.29 1.18 0.00 0.00 0.00 173.10 176.30 1wxr n GLU 203 N 3.85 0.84 -1.73 2.90 -0.58 -1.26 -4.68 120.64 119.97 1wxr n GLU 203 Ca 0.06 -2.88 -0.42 0.00 -0.42 0.00 0.00 57.16 53.50 1wxr n GLU 203 Cb 0.51 0.38 -0.03 0.00 -0.57 0.00 0.00 31.44 31.72 1wxr n GLU 203 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wxr s ALA 204 N -2.66 3.84 0.00 0.62 0.00 -1.26 -0.69 121.76 121.60 1wxr s ALA 204 Ca 0.22 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1wxr s ALA 204 Cb -0.02 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1wxr s ALA 204 CO 0.14 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1wxr n GLY 205 N 4.10 2.00 0.30 0.00 0.00 -1.26 -0.63 105.19 109.70 1wxr n GLY 205 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1wxr n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wxr n ASP 206 N 0.00 0.99 -4.75 1.61 8.00 0.13 -3.83 116.55 118.70 1wxr n ASP 206 Ca 0.00 -1.19 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 1wxr n ASP 206 Cb 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1wxr n ASP 206 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wxr s SER 207 N -2.13 6.40 0.00 -2.24 0.01 -1.26 -1.50 113.70 112.99 1wxr s SER 207 Ca 0.37 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.54 1wxr s SER 207 Cb 0.21 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1wxr s SER 207 CO 0.38 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1wxr n GLY 208 N 2.36 3.14 3.77 3.44 0.00 0.38 -4.77 105.19 113.51 1wxr n GLY 208 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1wxr n GLY 208 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxr s SER 209 N -0.72 6.03 0.44 1.61 1.04 -0.56 -4.28 113.70 117.25 1wxr s SER 209 Ca 0.00 2.90 -0.24 0.00 0.48 0.00 0.00 55.95 59.09 1wxr s SER 209 Cb 0.00 -2.65 -0.08 0.00 0.10 0.00 0.00 66.02 63.39 1wxr s SER 209 CO 0.00 -1.07 1.18 -2.16 0.98 0.00 0.00 173.24 172.16 1wxr s PRO 210 N -2.35 3.83 -0.17 4.02 0.04 -1.26 -1.06 135.00 138.05 1wxr s PRO 210 Ca 0.59 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 1wxr s PRO 210 Cb -0.43 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1wxr s PRO 210 CO 0.56 -0.50 -0.15 -1.17 0.04 0.00 0.00 177.00 175.78 1wxr s LEU 211 N -2.87 2.45 0.11 -3.56 2.96 0.11 -3.90 118.68 113.98 1wxr s LEU 211 Ca 0.62 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 1wxr s LEU 211 Cb -0.30 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1wxr s LEU 211 CO 0.37 0.05 -0.05 -0.36 -1.32 0.00 0.00 176.35 175.03 1wxr s PHE 212 N 1.00 2.83 0.02 5.38 0.40 0.24 -0.87 117.98 126.98 1wxr s PHE 212 Ca -0.02 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1wxr s PHE 212 Cb -0.15 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1wxr s PHE 212 CO -0.03 0.46 -0.06 0.00 0.70 0.00 0.00 175.22 176.29 1wxr s ALA 213 N -1.33 0.42 -0.35 5.36 0.00 0.05 -1.44 121.76 124.48 1wxr s ALA 213 Ca 0.24 -0.55 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 1wxr s ALA 213 Cb -0.11 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1wxr s ALA 213 CO 0.16 -0.01 0.95 0.12 0.00 0.00 0.00 175.76 176.97 1wxr s PHE 214 N -1.00 3.11 -0.41 0.00 5.36 -1.12 -1.11 117.98 122.81 1wxr s PHE 214 Ca -0.08 0.89 -0.20 0.00 -0.96 0.00 0.00 56.93 56.58 1wxr s PHE 214 Cb -0.07 -3.61 0.02 0.00 -0.34 0.00 0.00 43.02 39.02 1wxr s PHE 214 CO -0.00 -0.78 0.63 0.34 -1.46 0.00 0.00 175.22 173.95 1wxr s ASP 215 N 1.79 6.34 0.44 6.13 -1.08 0.02 -3.92 116.67 126.39 1wxr s ASP 215 Ca 0.39 -0.22 0.27 0.00 -0.52 0.00 0.00 52.55 52.47 1wxr s ASP 215 Cb -0.12 -2.32 0.73 0.00 -1.46 0.00 0.00 42.92 39.75 1wxr s ASP 215 CO 0.17 -0.72 1.74 0.71 0.52 0.00 0.00 175.17 177.60 1wxr h THR 216 N 5.81 0.00 0.28 1.71 1.35 -0.84 -1.26 112.91 119.97 1wxr h THR 216 Ca -0.26 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 1wxr h THR 216 Cb 1.10 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1wxr h THR 216 CO 0.87 0.00 -0.14 0.58 -0.25 0.00 0.00 175.52 176.59 1wxr h VAL 217 N 0.00 0.75 -0.00 6.82 2.07 -1.88 -3.19 116.25 120.81 1wxr h VAL 217 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1wxr h VAL 217 Cb 0.79 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1wxr h VAL 217 CO 0.00 0.04 -0.13 0.00 0.02 0.00 0.00 177.57 177.50 1wxr n GLN 218 N -5.21 0.71 -3.74 1.57 6.02 -1.18 -4.92 117.38 110.63 1wxr n GLN 218 Ca -0.10 -0.28 -0.29 0.00 -0.01 0.00 0.00 57.00 56.33 1wxr n GLN 218 Cb 0.20 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 1wxr n GLN 218 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wxr n ASN 219 N -0.90 -3.93 -3.96 1.08 4.05 -0.53 -4.99 115.26 106.08 1wxr n ASN 219 Ca 0.14 -0.66 -0.08 0.00 0.45 0.00 0.00 54.58 54.43 1wxr n ASN 219 Cb 0.29 -3.21 -0.08 0.00 1.23 0.00 0.00 39.78 38.01 1wxr n ASN 219 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 1wxr s LYS 220 N -6.42 0.76 0.46 1.20 -2.85 -0.86 -5.00 119.74 107.03 1wxr s LYS 220 Ca 0.57 -1.08 -0.22 0.00 -1.00 0.00 0.00 55.97 54.23 1wxr s LYS 220 Cb -0.30 0.29 -0.08 0.00 -2.06 0.00 0.00 37.83 35.68 1wxr s LYS 220 CO 0.70 -0.21 1.10 -1.58 0.10 0.00 0.00 175.35 175.46 1wxr s TRP 221 N -3.89 2.98 -0.07 1.78 0.52 -1.26 -0.80 118.94 118.20 1wxr s TRP 221 Ca 0.06 1.58 -0.11 0.00 0.02 0.00 0.00 56.10 57.65 1wxr s TRP 221 Cb 0.06 -3.22 0.02 0.00 -1.15 0.00 0.00 33.47 29.19 1wxr s TRP 221 CO -0.10 -1.11 0.27 0.54 0.02 0.00 0.00 176.95 176.57 1wxr s VAL 222 N -1.72 0.03 -0.37 4.03 0.11 -0.27 -4.56 120.40 117.65 1wxr s VAL 222 Ca 0.64 -0.21 -0.24 0.00 -2.93 0.00 0.00 61.98 59.24 1wxr s VAL 222 Cb -0.23 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1wxr s VAL 222 CO 0.28 -0.12 0.83 -0.22 -3.33 0.00 0.00 175.10 172.55 1wxr s LEU 223 N -0.43 4.09 -0.04 2.54 2.96 -0.01 -0.77 118.68 127.02 1wxr s LEU 223 Ca -0.05 0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 54.11 1wxr s LEU 223 Cb -0.04 -3.11 -0.31 0.00 0.50 0.00 0.00 46.19 43.23 1wxr s LEU 223 CO 0.02 -0.80 0.74 1.62 -1.32 0.00 0.00 176.35 176.61 1wxr h VAL 224 N 5.80 1.05 -2.59 1.68 3.04 -1.35 0.48 116.25 124.37 1wxr h VAL 224 Ca -0.24 -2.54 0.15 0.00 -1.01 0.00 0.00 66.70 63.06 1wxr h VAL 224 Cb 1.09 2.84 -0.03 0.00 -2.01 0.00 0.00 31.29 33.18 1wxr h VAL 224 CO 0.94 0.82 0.56 -0.83 -1.01 0.00 0.00 177.57 178.05 1wxr s GLY 225 N -4.95 0.14 -0.01 3.17 0.00 -1.16 -0.87 107.32 103.64 1wxr s GLY 225 Ca -0.15 -0.38 0.05 0.00 0.00 0.00 0.00 44.72 44.24 1wxr s GLY 225 CO 0.86 2.27 -0.16 -1.34 0.00 0.00 0.00 173.10 174.73 1wxr s VAL 226 N -2.16 1.30 -0.01 1.40 -7.23 -0.47 0.06 120.40 113.29 1wxr s VAL 226 Ca 0.22 -0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 1wxr s VAL 226 Cb -0.03 -1.09 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 1wxr s VAL 226 CO 0.06 0.33 1.63 -0.22 -0.31 0.00 0.00 175.10 176.60 1wxr s LEU 227 N -0.48 4.34 -0.23 1.32 0.20 -0.23 -1.16 118.68 122.44 1wxr s LEU 227 Ca 0.06 2.31 0.07 0.00 0.69 0.00 0.00 54.13 57.26 1wxr s LEU 227 Cb -0.07 -3.55 -0.20 0.00 -0.43 0.00 0.00 46.19 41.95 1wxr s LEU 227 CO -0.00 -0.89 -0.11 0.35 -0.29 0.00 0.00 176.35 175.40 1wxr n THR 228 N 5.17 1.46 -3.79 3.68 -2.24 0.05 -0.47 114.28 118.14 1wxr n THR 228 Ca 0.16 -0.67 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 1wxr n THR 228 Cb 0.42 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 1wxr n THR 228 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wxr s ALA 229 N -2.51 -1.36 0.28 6.98 0.00 -1.16 -4.91 121.76 119.08 1wxr s ALA 229 Ca -0.26 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 51.64 1wxr s ALA 229 Cb 0.08 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1wxr s ALA 229 CO 0.68 -1.01 0.25 0.41 0.00 0.00 0.00 175.76 176.09 1wxr n GLY 230 N -0.45 3.02 2.61 0.00 0.00 -1.26 -0.97 105.19 108.14 1wxr n GLY 230 Ca -0.06 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 1wxr n GLY 230 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wxr n ASN 231 N -1.87 7.33 -1.28 1.61 5.03 -0.97 -4.99 115.26 120.12 1wxr n ASN 231 Ca 0.06 -3.44 0.15 0.00 0.87 0.00 0.00 54.58 52.23 1wxr n ASN 231 Cb 0.51 -1.22 -0.04 0.00 -1.02 0.00 0.00 39.78 38.02 1wxr n ASN 231 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wxr n GLY 232 N 0.58 -1.59 3.68 7.41 0.00 -1.26 -3.38 105.19 110.63 1wxr n GLY 232 Ca 0.53 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1wxr n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr n ALA 233 N -1.80 1.84 -1.30 4.61 0.00 -1.26 -1.35 120.51 121.25 1wxr n ALA 233 Ca 0.01 0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.63 1wxr n ALA 233 Cb 0.51 -2.60 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 1wxr n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxr n GLY 234 N 4.31 1.14 1.29 0.00 0.00 -1.26 -5.01 105.19 105.67 1wxr n GLY 234 Ca 0.19 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1wxr n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wxr n GLY 235 N -1.33 -3.44 0.12 -0.02 0.00 -0.45 -5.00 105.19 95.07 1wxr n GLY 235 Ca -0.10 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 1wxr n GLY 235 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wxr h ARG 236 N 0.00 0.25 -2.41 1.61 2.43 -1.87 -3.38 114.38 111.01 1wxr h ARG 236 Ca -0.16 -0.43 0.17 0.00 -0.81 0.00 0.00 59.98 58.75 1wxr h ARG 236 Cb 0.52 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 1wxr h ARG 236 CO 0.10 1.10 0.47 0.20 -1.51 0.00 0.00 179.97 180.33 1wxr s GLY 237 N -5.06 -0.20 0.24 2.80 0.00 -1.26 -0.64 107.32 103.20 1wxr s GLY 237 Ca -0.11 0.05 0.11 0.00 0.00 0.00 0.00 44.72 44.77 1wxr s GLY 237 CO 0.84 0.08 -0.18 -1.31 0.00 0.00 0.00 173.10 172.54 1wxr s ASN 238 N -2.96 3.74 0.08 1.64 -0.87 -1.03 -2.29 114.94 113.24 1wxr s ASN 238 Ca 0.13 -0.88 0.06 0.00 -1.57 0.00 0.00 52.86 50.60 1wxr s ASN 238 Cb -0.02 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.25 40.77 1wxr s ASN 238 CO 0.03 0.07 -0.08 0.20 -2.57 0.00 0.00 177.10 174.75 1wxr s ASN 239 N -3.20 4.52 0.00 -1.22 0.01 -0.14 -3.05 114.94 111.86 1wxr s ASN 239 Ca 0.27 -0.31 0.06 0.00 -0.71 0.00 0.00 52.86 52.16 1wxr s ASN 239 Cb -0.06 -0.93 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 1wxr s ASN 239 CO 0.14 0.20 -0.18 0.26 -1.51 0.00 0.00 177.10 176.01 1wxr s TRP 240 N -1.18 1.60 -0.21 2.20 0.51 0.81 -0.77 118.94 121.89 1wxr s TRP 240 Ca 0.21 -0.32 -0.27 0.00 -2.12 0.00 0.00 56.10 53.60 1wxr s TRP 240 Cb -0.11 -1.01 -0.00 0.00 -0.81 0.00 0.00 33.47 31.54 1wxr s TRP 240 CO 0.13 0.01 0.92 0.00 -0.51 0.00 0.00 176.95 177.50 1wxr s ALA 241 N -0.55 3.61 0.49 0.98 0.00 -0.31 -0.71 121.76 125.27 1wxr s ALA 241 Ca 0.06 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 1wxr s ALA 241 Cb -0.07 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1wxr s ALA 241 CO 0.00 -0.88 1.38 0.08 0.00 0.00 0.00 175.76 176.34 1wxr s VAL 242 N 2.74 2.16 0.01 0.00 1.01 -1.10 -1.37 120.40 123.85 1wxr s VAL 242 Ca 0.40 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1wxr s VAL 242 Cb -0.16 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 1wxr s VAL 242 CO 0.09 0.01 1.80 -0.63 0.00 0.00 0.00 175.10 176.37 1wxr s ILE 243 N -1.26 3.22 -0.72 2.22 -1.09 -0.05 -4.85 121.20 118.66 1wxr s ILE 243 Ca 0.65 0.35 -0.27 0.00 -2.23 0.00 0.00 60.65 59.15 1wxr s ILE 243 Cb -0.41 -3.22 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1wxr s ILE 243 CO 0.51 -0.03 1.37 -2.16 -1.23 0.00 0.00 174.94 173.40 1wxr s PRO 244 N 4.00 3.11 0.18 2.79 0.04 -1.26 -4.27 135.00 139.59 1wxr s PRO 244 Ca 0.80 -0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 1wxr s PRO 244 Cb -0.39 -4.21 0.16 0.00 0.04 0.00 0.00 34.50 30.10 1wxr s PRO 244 CO 0.35 -2.23 1.77 -0.07 0.04 0.00 0.00 177.00 176.86 1wxr h LEU 245 N 13.52 0.30 -0.72 -3.56 4.07 -1.94 -1.16 115.31 125.83 1wxr h LEU 245 Ca -0.28 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.63 1wxr h LEU 245 Cb 1.07 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1wxr h LEU 245 CO 1.27 0.21 -0.08 0.44 -1.08 0.00 0.00 178.44 179.19 1wxr h ASP 246 N 0.45 0.89 0.16 -0.43 3.32 -1.99 -1.19 116.42 117.62 1wxr h ASP 246 Ca 0.24 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1wxr h ASP 246 Cb 0.19 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1wxr h ASP 246 CO -0.20 1.00 -0.08 0.15 -1.72 0.00 0.00 179.24 178.39 1wxr h PHE 247 N 0.81 -0.20 -0.27 4.55 3.04 -1.89 -1.71 116.94 121.26 1wxr h PHE 247 Ca 0.14 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.15 1wxr h PHE 247 Cb 0.60 0.07 -0.07 0.00 2.56 0.00 0.00 35.95 39.10 1wxr h PHE 247 CO 0.04 0.13 -0.24 0.82 -2.02 0.00 0.00 178.31 177.04 1wxr h ILE 248 N -0.56 0.39 -0.84 1.41 2.04 -1.18 -0.28 117.51 118.49 1wxr h ILE 248 Ca -0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.04 1wxr h ILE 248 Cb 0.43 0.39 -0.15 0.00 -0.74 0.00 0.00 36.82 36.75 1wxr h ILE 248 CO 0.04 0.00 0.03 1.23 0.00 0.00 0.00 178.15 179.45 1wxr h GLY 249 N -0.23 1.00 1.01 5.37 0.00 -1.20 -1.24 103.07 107.78 1wxr h GLY 249 Ca 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 1wxr h GLY 249 CO -0.41 -0.35 0.28 1.46 0.00 0.00 0.00 176.54 177.52 1wxr h GLN 250 N 0.09 0.97 -0.29 4.80 4.20 -0.14 -2.26 115.11 122.49 1wxr h GLN 250 Ca 0.48 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 1wxr h GLN 250 Cb 0.89 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1wxr h GLN 250 CO -0.74 0.80 -0.21 0.87 -0.67 0.00 0.00 178.83 178.88 1wxr h LYS 251 N 0.92 0.54 -0.04 1.46 1.79 -0.01 -0.58 116.57 120.65 1wxr h LYS 251 Ca 0.22 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1wxr h LYS 251 Cb 0.18 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1wxr h LYS 251 CO -0.02 0.72 -0.08 0.74 -1.08 0.00 0.00 179.45 179.74 1wxr h PHE 252 N 0.48 0.16 -0.69 -1.35 0.05 -1.29 -3.26 116.94 111.05 1wxr h PHE 252 Ca 0.08 -0.06 0.05 0.00 3.82 0.00 0.00 57.97 61.86 1wxr h PHE 252 Cb 0.64 -0.03 -0.05 0.00 2.00 0.00 0.00 35.95 38.50 1wxr h PHE 252 CO 0.02 0.66 0.40 -0.91 -0.18 0.00 0.00 178.31 178.30 1wxr h ASN 253 N -0.39 0.61 0.58 2.17 -0.26 -1.25 -2.92 115.58 114.12 1wxr h ASN 253 Ca 0.00 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1wxr h ASN 253 Cb 0.64 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1wxr h ASN 253 CO 0.02 0.40 0.00 1.05 -1.06 0.00 0.00 177.43 177.84 1wxr h GLU 254 N 0.75 0.00 0.00 0.81 4.11 -1.15 0.05 114.58 119.16 1wxr h GLU 254 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1wxr h GLU 254 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1wxr h GLU 254 CO -0.16 0.00 -0.52 -0.25 0.07 0.00 0.00 179.01 178.15 1wxr n ASP 255 N -2.81 0.51 -4.70 3.06 10.43 -1.10 -4.88 116.55 117.05 1wxr n ASP 255 Ca -0.00 -0.24 -0.38 0.00 2.57 0.00 0.00 54.79 56.73 1wxr n ASP 255 Cb 0.20 0.26 -0.06 0.00 1.84 0.00 0.00 41.12 43.36 1wxr n ASP 255 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1wxr s ASN 256 N -3.06 6.63 0.82 -2.24 0.01 0.00 -0.79 114.94 116.32 1wxr s ASN 256 Ca 0.11 0.76 -0.11 0.00 -0.71 0.00 0.00 52.86 52.90 1wxr s ASN 256 Cb 0.17 -2.29 0.09 0.00 0.41 0.00 0.00 41.25 39.63 1wxr s ASN 256 CO 0.70 -0.06 1.10 -1.81 -1.51 0.00 0.00 177.10 175.52 1wxr s ASP 257 N 0.82 4.21 0.39 -1.22 1.01 0.29 -4.89 116.67 117.27 1wxr s ASP 257 Ca 0.25 1.36 -0.28 0.00 0.71 0.00 0.00 52.55 54.59 1wxr s ASP 257 Cb -0.15 -2.08 -0.11 0.00 1.01 0.00 0.00 42.92 41.60 1wxr s ASP 257 CO 0.10 -2.15 1.48 0.00 0.21 0.00 0.00 175.17 174.81 1wxr s ALA 258 N -3.10 3.52 0.49 5.23 0.00 -1.26 -4.74 121.76 121.90 1wxr s ALA 258 Ca 0.61 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.90 1wxr s ALA 258 Cb -0.15 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.29 1wxr s ALA 258 CO 0.55 -1.09 1.39 -0.35 0.00 0.00 0.00 175.76 176.26 1wxr n PRO 259 N 0.34 2.02 -4.07 0.00 -0.04 -1.26 -4.76 135.00 127.23 1wxr n PRO 259 Ca 0.02 0.73 -0.35 0.00 -0.04 0.00 0.00 63.50 63.85 1wxr n PRO 259 Cb 0.40 -2.59 -0.09 0.00 -0.04 0.00 0.00 33.50 31.17 1wxr n PRO 259 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wxr s VAL 260 N -1.23 4.78 -0.16 0.52 0.11 0.90 -5.00 120.40 120.32 1wxr s VAL 260 Ca 0.65 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.66 1wxr s VAL 260 Cb -0.44 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1wxr s VAL 260 CO 0.54 0.51 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.77 1wxr s THR 261 N -0.07 2.47 0.01 5.04 2.01 -1.26 -0.97 115.64 122.86 1wxr s THR 261 Ca 0.06 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 60.99 1wxr s THR 261 Cb -0.12 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1wxr s THR 261 CO 0.01 0.52 0.75 0.12 -0.69 0.00 0.00 174.62 175.33 1wxr s PHE 262 N 0.95 3.69 -0.45 4.92 2.19 -0.78 -4.99 117.98 123.51 1wxr s PHE 262 Ca -0.03 1.41 -0.16 0.00 0.33 0.00 0.00 56.93 58.48 1wxr s PHE 262 Cb -0.15 -2.82 0.05 0.00 -1.31 0.00 0.00 43.02 38.79 1wxr s PHE 262 CO -0.03 0.22 0.40 1.03 1.83 0.00 0.00 175.22 178.66 1wxr s ARG 263 N 0.20 3.01 0.15 10.12 0.52 -1.26 -4.49 118.95 127.20 1wxr s ARG 263 Ca 0.38 -1.09 -0.16 0.00 -0.52 0.00 0.00 55.73 54.34 1wxr s ARG 263 Cb -0.20 -4.05 0.03 0.00 0.52 0.00 0.00 34.95 31.25 1wxr s ARG 263 CO 0.22 -0.93 1.78 1.15 0.02 0.00 0.00 175.30 177.54 1wxr h THR 264 N 5.72 1.01 -0.97 0.02 2.02 -1.93 -2.66 112.91 116.12 1wxr h THR 264 Ca -0.28 -0.14 0.24 0.00 0.77 0.00 0.00 66.41 67.01 1wxr h THR 264 Cb 1.11 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 1wxr h THR 264 CO 0.82 0.07 0.64 0.77 0.37 0.00 0.00 175.52 178.20 1wxr h SER 265 N 0.40 0.34 0.83 4.18 4.64 -1.96 -1.88 113.55 120.10 1wxr h SER 265 Ca 0.15 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1wxr h SER 265 Cb 0.03 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1wxr h SER 265 CO -0.09 0.11 -0.54 -0.33 -0.87 0.00 0.00 176.83 175.11 1wxr h GLU 266 N 0.33 0.00 0.00 4.77 5.08 -1.90 -3.49 114.58 119.36 1wxr h GLU 266 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1wxr h GLU 266 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1wxr h GLU 266 CO -0.18 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 1wxr n GLY 267 N 0.43 0.01 7.00 -3.84 0.00 -0.71 -5.00 105.19 103.08 1wxr n GLY 267 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1wxr n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wxr n GLY 268 N 0.00 0.46 3.37 -0.02 0.00 -1.26 -4.93 105.19 102.81 1wxr n GLY 268 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 1wxr n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr s ALA 269 N -1.54 -1.23 -0.37 4.61 0.00 -1.26 -4.78 121.76 117.18 1wxr s ALA 269 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1wxr s ALA 269 Cb 0.00 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.80 1wxr s ALA 269 CO 0.00 -0.65 1.38 -0.51 0.00 0.00 0.00 175.76 175.98 1wxr s LEU 270 N -2.58 3.69 -0.26 0.00 2.01 0.19 -4.33 118.68 117.39 1wxr s LEU 270 Ca 0.00 0.96 -0.18 0.00 0.01 0.00 0.00 54.13 54.93 1wxr s LEU 270 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 46.19 42.64 1wxr s LEU 270 CO -0.10 -1.31 0.51 -1.61 1.01 0.00 0.00 176.35 174.85 1wxr s GLU 271 N 4.68 4.05 -0.42 1.70 0.41 0.13 -1.13 118.70 128.11 1wxr s GLU 271 Ca 0.60 0.30 -0.15 0.00 -0.41 0.00 0.00 54.97 55.30 1wxr s GLU 271 Cb -0.15 -3.66 0.03 0.00 -1.78 0.00 0.00 34.13 28.57 1wxr s GLU 271 CO 0.29 -0.36 0.34 -0.46 -0.49 0.00 0.00 175.26 174.58 1wxr s TRP 272 N 2.31 3.23 0.24 1.61 -0.11 0.50 -0.95 118.94 125.76 1wxr s TRP 272 Ca 0.21 -0.60 0.08 0.00 1.22 0.00 0.00 56.10 57.02 1wxr s TRP 272 Cb -0.16 -2.72 -0.04 0.00 -1.50 0.00 0.00 33.47 29.05 1wxr s TRP 272 CO 0.09 -0.64 0.03 -1.54 -4.62 0.00 0.00 176.95 170.28 1wxr s SER 273 N 1.82 4.78 -0.17 5.86 1.04 0.14 -1.38 113.70 125.79 1wxr s SER 273 Ca 0.06 -0.50 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 1wxr s SER 273 Cb -0.19 -0.99 0.06 0.00 0.10 0.00 0.00 66.02 64.99 1wxr s SER 273 CO 0.10 0.02 0.40 0.12 0.98 0.00 0.00 173.24 174.87 1wxr s PHE 274 N -2.11 -0.58 -0.47 5.02 2.19 -1.26 -0.69 117.98 120.07 1wxr s PHE 274 Ca 0.30 1.25 -0.16 0.00 0.33 0.00 0.00 56.93 58.65 1wxr s PHE 274 Cb -0.07 0.25 0.06 0.00 -1.31 0.00 0.00 43.02 41.95 1wxr s PHE 274 CO 0.20 -0.33 0.43 1.21 1.83 0.00 0.00 175.22 178.57 1wxr s ASN 275 N 1.29 6.16 0.57 6.13 3.84 0.93 -4.84 114.94 129.03 1wxr s ASN 275 Ca -0.09 -1.20 0.35 0.00 0.21 0.00 0.00 52.86 52.13 1wxr s ASN 275 Cb -0.08 -2.20 1.53 0.00 -0.55 0.00 0.00 41.25 39.95 1wxr s ASN 275 CO -0.11 -0.68 2.05 0.77 -2.79 0.00 0.00 177.10 176.33 1wxr h SER 276 N 8.79 0.00 0.24 -4.21 4.64 -1.89 0.53 113.55 121.65 1wxr h SER 276 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1wxr h SER 276 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1wxr h SER 276 CO 0.88 0.01 -0.39 -1.54 -0.87 0.00 0.00 176.83 174.93 1wxr n SER 277 N -3.12 1.06 0.00 4.97 3.41 -1.26 -4.13 113.62 114.55 1wxr n SER 277 Ca -0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1wxr n SER 277 Cb 0.27 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1wxr n SER 277 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1wxr n THR 278 N -0.79 0.00 -0.99 6.66 -1.04 -0.87 -4.92 114.28 112.34 1wxr n THR 278 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1wxr n THR 278 Cb 0.36 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1wxr n THR 278 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wxr n GLY 279 N 2.66 0.39 3.70 3.41 0.00 0.18 -4.89 105.19 110.64 1wxr n GLY 279 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1wxr n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr s ALA 280 N -1.85 3.61 0.30 4.61 0.00 -1.20 -0.83 121.76 126.40 1wxr s ALA 280 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1wxr s ALA 280 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1wxr s ALA 280 CO 0.00 0.13 0.11 0.20 0.00 0.00 0.00 175.76 176.20 1wxr s GLY 281 N 0.42 2.00 -0.08 0.00 0.00 0.19 -0.05 107.32 109.80 1wxr s GLY 281 Ca 0.07 -1.79 -0.11 0.00 0.00 0.00 0.00 44.72 42.89 1wxr s GLY 281 CO -0.01 -1.66 0.28 0.00 0.00 0.00 0.00 173.10 171.71 1wxr s ALA 282 N -3.56 -0.70 -0.22 3.20 0.00 0.13 -1.26 121.76 119.35 1wxr s ALA 282 Ca 0.35 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 1wxr s ALA 282 Cb 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1wxr s ALA 282 CO 0.15 -0.16 -0.09 -0.51 0.00 0.00 0.00 175.76 175.14 1wxr s LEU 283 N -0.21 2.74 -0.13 0.00 2.01 0.30 0.24 118.68 123.63 1wxr s LEU 283 Ca -0.03 -0.59 0.01 0.00 0.01 0.00 0.00 54.13 53.53 1wxr s LEU 283 Cb -0.03 -1.64 0.02 0.00 0.01 0.00 0.00 46.19 44.54 1wxr s LEU 283 CO 0.01 -0.04 -0.17 -0.89 1.01 0.00 0.00 176.35 176.27 1wxr s THR 284 N 1.38 1.71 -0.20 5.49 2.01 -0.13 0.10 115.64 126.01 1wxr s THR 284 Ca 0.04 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1wxr s THR 284 Cb -0.14 -1.56 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1wxr s THR 284 CO -0.07 0.48 -0.16 -1.58 -0.69 0.00 0.00 174.62 172.61 1wxr s GLN 285 N 1.11 2.97 7.28 4.92 0.74 -0.61 0.18 119.66 136.25 1wxr s GLN 285 Ca -0.03 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.53 1wxr s GLN 285 Cb -0.14 -2.69 0.00 0.00 1.10 0.00 0.00 33.01 31.28 1wxr s GLN 285 CO -0.05 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.85 1wxr n GLY 286 N 4.63 3.56 0.20 2.59 0.00 -1.26 -1.22 105.19 113.69 1wxr n GLY 286 Ca -0.20 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1wxr n GLY 286 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wxr n THR 287 N 0.00 0.00 -4.38 2.61 5.66 -1.26 -4.90 114.28 112.01 1wxr n THR 287 Ca 0.00 -0.11 -0.35 0.00 -3.05 0.00 0.00 64.05 60.55 1wxr n THR 287 Cb 0.00 0.78 -0.09 0.00 -1.55 0.00 0.00 70.33 69.47 1wxr n THR 287 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1wxr s THR 288 N -2.73 4.27 -0.01 1.09 -1.32 -0.36 -5.10 115.64 111.49 1wxr s THR 288 Ca 0.16 -0.29 0.03 0.00 -1.21 0.00 0.00 61.69 60.38 1wxr s THR 288 Cb 0.18 -2.80 -0.01 0.00 -1.51 0.00 0.00 72.50 68.36 1wxr s THR 288 CO 0.67 0.59 -0.10 0.28 -2.21 0.00 0.00 174.62 173.84 1wxr s THR 289 N -0.90 0.80 -0.07 5.08 -1.32 -1.26 -1.57 115.64 116.40 1wxr s THR 289 Ca 0.14 -0.46 0.05 0.00 -1.21 0.00 0.00 61.69 60.21 1wxr s THR 289 Cb -0.11 -0.68 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1wxr s THR 289 CO 0.03 0.21 -0.24 -0.31 -2.21 0.00 0.00 174.62 172.10 1wxr s TYR 290 N -0.27 2.49 0.48 9.09 2.02 0.11 -4.96 117.35 126.31 1wxr s TYR 290 Ca 0.04 -0.80 -0.22 0.00 -0.37 0.00 0.00 57.07 55.71 1wxr s TYR 290 Cb -0.04 -1.64 -0.07 0.00 -0.40 0.00 0.00 41.96 39.81 1wxr s TYR 290 CO -0.00 -0.27 1.16 0.00 -1.57 0.00 0.00 175.55 174.87 1wxr s ALA 291 N -0.02 2.90 0.01 3.71 0.00 -1.26 -0.53 121.76 126.57 1wxr s ALA 291 Ca -0.08 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1wxr s ALA 291 Cb -0.15 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1wxr s ALA 291 CO 0.05 -0.69 -0.03 1.41 0.00 0.00 0.00 175.76 176.50 1wxr s MET 292 N -2.85 0.28 -0.06 0.00 1.75 -0.39 -4.81 119.30 113.22 1wxr s MET 292 Ca 0.66 -0.36 0.03 0.00 -1.25 0.00 0.00 55.69 54.77 1wxr s MET 292 Cb -0.27 -0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.29 1wxr s MET 292 CO 0.33 0.02 -0.16 -1.01 -0.65 0.00 0.00 175.02 173.55 1wxr s HIS 293 N -0.72 1.68 0.00 4.11 3.76 -1.26 -0.64 115.29 122.22 1wxr s HIS 293 Ca -0.06 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1wxr s HIS 293 Cb -0.05 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.47 1wxr s HIS 293 CO -0.00 -0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.05 1wxr n GLY 294 N 3.49 7.32 3.80 -2.22 0.00 -0.01 -0.38 105.19 117.19 1wxr n GLY 294 Ca -0.20 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 1wxr n GLY 294 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wxr s GLN 295 N 0.91 3.90 -0.15 1.61 -2.07 -0.29 -2.91 119.66 120.66 1wxr s GLN 295 Ca 0.00 1.38 0.02 0.00 -1.82 0.00 0.00 55.36 54.93 1wxr s GLN 295 Cb 0.00 -2.20 0.01 0.00 -1.09 0.00 0.00 33.01 29.73 1wxr s GLN 295 CO 0.00 -0.34 -0.19 -0.65 -1.32 0.00 0.00 175.29 172.78 1wxr s GLN 296 N -3.07 3.10 4.59 9.60 -0.21 -1.01 -4.20 119.66 128.46 1wxr s GLN 296 Ca 0.65 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 55.22 1wxr s GLN 296 Cb -0.17 -2.52 0.00 0.00 1.00 0.00 0.00 33.01 31.32 1wxr s GLN 296 CO 0.21 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.78 1wxr n GLY 297 N 4.09 3.17 0.96 3.09 0.00 -1.26 -0.27 105.19 114.97 1wxr n GLY 297 Ca -0.20 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1wxr n GLY 297 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wxr n ASN 298 N 3.30 2.79 -4.46 1.61 5.03 -1.26 -4.81 115.26 117.47 1wxr n ASN 298 Ca 0.00 -2.12 -0.43 0.00 0.87 0.00 0.00 54.58 52.90 1wxr n ASN 298 Cb 0.00 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.35 1wxr n ASN 298 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wxr s ASP 299 N -0.89 6.30 0.45 6.41 2.15 0.63 -4.88 116.67 126.84 1wxr s ASP 299 Ca 0.32 -1.27 0.19 0.00 0.43 0.00 0.00 52.55 52.22 1wxr s ASP 299 Cb 0.18 -2.42 1.07 0.00 -0.30 0.00 0.00 42.92 41.45 1wxr s ASP 299 CO 0.19 -1.35 1.96 -0.07 -0.17 0.00 0.00 175.17 175.72 1wxr h LEU 300 N 11.20 0.00 -1.02 -1.34 3.38 -1.87 -2.68 115.31 122.97 1wxr h LEU 300 Ca -0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wxr h LEU 300 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wxr h LEU 300 CO 1.18 0.22 -0.01 -1.13 0.09 0.00 0.00 178.44 178.79 1wxr h ASN 301 N 0.00 0.00 0.54 -0.43 -1.24 -1.90 0.11 115.58 112.67 1wxr h ASN 301 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1wxr h ASN 301 Cb 0.46 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1wxr h ASN 301 CO 0.03 0.01 0.00 0.00 -1.29 0.00 0.00 177.43 176.18 1wxr n ALA 302 N -2.10 1.76 -2.21 1.57 0.00 -1.24 -4.72 120.51 113.58 1wxr n ALA 302 Ca 0.02 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1wxr n ALA 302 Cb 0.38 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1wxr n ALA 302 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wxr s GLY 303 N -2.97 2.86 0.24 0.00 0.00 -0.97 -4.13 107.32 102.34 1wxr s GLY 303 Ca 0.08 0.33 0.12 0.00 0.00 0.00 0.00 44.72 45.25 1wxr s GLY 303 CO 0.30 1.01 -0.21 0.54 0.00 0.00 0.00 173.10 174.73 1wxr s LYS 304 N -0.53 1.62 0.30 2.90 -0.14 0.49 -3.85 119.74 120.54 1wxr s LYS 304 Ca 0.38 -1.64 -0.27 0.00 -1.36 0.00 0.00 55.97 53.08 1wxr s LYS 304 Cb -0.22 -1.82 -0.10 0.00 -1.68 0.00 0.00 37.83 34.01 1wxr s LYS 304 CO 0.25 0.37 0.96 -0.80 -0.76 0.00 0.00 175.35 175.36 1wxr s ASN 305 N -3.10 7.39 -0.04 2.83 0.01 0.03 -4.43 114.94 117.62 1wxr s ASN 305 Ca 0.26 1.91 0.03 0.00 -0.71 0.00 0.00 52.86 54.35 1wxr s ASN 305 Cb -0.06 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 1wxr s ASN 305 CO 0.13 -0.03 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.79 1wxr s LEU 306 N -1.79 2.83 -0.11 0.60 1.43 -0.61 -0.55 118.68 120.48 1wxr s LEU 306 Ca 0.48 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1wxr s LEU 306 Cb -0.22 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1wxr s LEU 306 CO 0.28 0.34 -0.18 -0.63 0.23 0.00 0.00 176.35 176.38 1wxr s ILE 307 N -0.78 1.68 -0.12 -0.59 1.01 -1.26 -0.80 121.20 120.34 1wxr s ILE 307 Ca 0.12 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 1wxr s ILE 307 Cb -0.11 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1wxr s ILE 307 CO 0.02 0.48 -0.13 -0.36 0.00 0.00 0.00 174.94 174.94 1wxr s PHE 308 N 0.80 2.81 0.38 3.97 0.40 0.71 -0.07 117.98 126.98 1wxr s PHE 308 Ca -0.10 -0.59 0.05 0.00 -0.60 0.00 0.00 56.93 55.70 1wxr s PHE 308 Cb -0.16 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1wxr s PHE 308 CO 0.01 -0.17 0.20 1.14 0.70 0.00 0.00 175.22 177.10 1wxr s GLN 309 N 0.26 1.86 0.00 0.44 -2.07 -0.14 -0.50 119.66 119.51 1wxr s GLN 309 Ca -0.09 -2.12 0.00 0.00 -1.82 0.00 0.00 55.36 51.33 1wxr s GLN 309 Cb -0.15 -0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.62 1wxr s GLN 309 CO 0.05 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.86 1wxr n GLY 310 N -0.79 0.92 3.76 2.60 0.00 -1.26 -1.86 105.19 108.56 1wxr n GLY 310 Ca 0.00 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1wxr n GLY 310 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxr s GLN 311 N -4.25 3.18 -1.47 1.61 -0.21 -1.26 -3.24 119.66 114.02 1wxr s GLN 311 Ca 0.00 1.87 -0.07 0.00 0.02 0.00 0.00 55.36 57.17 1wxr s GLN 311 Cb 0.00 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 31.96 1wxr s GLN 311 CO 0.00 -1.05 0.74 0.09 -2.12 0.00 0.00 175.29 172.95 1wxr n ASN 312 N -1.27 -5.60 -4.64 5.90 4.13 -1.21 -4.50 115.26 108.08 1wxr n ASN 312 Ca 0.12 -0.41 -0.40 0.00 1.68 0.00 0.00 54.58 55.57 1wxr n ASN 312 Cb 0.49 -4.50 0.03 0.00 -1.54 0.00 0.00 39.78 34.25 1wxr n ASN 312 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wxr n GLY 313 N -1.57 -0.02 3.04 7.41 0.00 -0.29 -4.86 105.19 108.90 1wxr n GLY 313 Ca -0.05 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1wxr n GLY 313 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxr s GLN 314 N -2.32 1.35 0.00 1.61 -1.52 -1.26 -1.29 119.66 116.23 1wxr s GLN 314 Ca 0.67 -0.40 0.05 0.00 -1.95 0.00 0.00 55.36 53.72 1wxr s GLN 314 Cb -0.50 -1.19 -0.01 0.00 -0.22 0.00 0.00 33.01 31.09 1wxr s GLN 314 CO 0.54 0.12 -0.16 0.42 -0.25 0.00 0.00 175.29 175.96 1wxr s ILE 315 N 0.29 1.24 -0.10 1.08 1.01 -0.11 -0.64 121.20 123.97 1wxr s ILE 315 Ca -0.06 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 1wxr s ILE 315 Cb -0.11 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1wxr s ILE 315 CO 0.02 0.28 -0.07 0.21 0.00 0.00 0.00 174.94 175.38 1wxr s ASN 316 N -0.55 2.01 -0.20 3.58 2.47 -0.28 -0.97 114.94 120.99 1wxr s ASN 316 Ca 0.05 -0.26 -0.23 0.00 0.42 0.00 0.00 52.86 52.84 1wxr s ASN 316 Cb -0.06 -0.77 -0.02 0.00 -1.45 0.00 0.00 41.25 38.95 1wxr s ASN 316 CO -0.00 -0.11 0.72 -0.76 -3.72 0.00 0.00 177.10 173.23 1wxr s LEU 317 N 1.62 4.14 0.05 3.21 1.02 -0.06 -0.37 118.68 128.28 1wxr s LEU 317 Ca 0.03 0.95 0.22 0.00 0.02 0.00 0.00 54.13 55.35 1wxr s LEU 317 Cb -0.13 -3.03 -0.20 0.00 0.02 0.00 0.00 46.19 42.84 1wxr s LEU 317 CO -0.06 -0.36 0.71 0.29 0.02 0.00 0.00 176.35 176.95 1wxr n LYS 318 N 5.31 0.59 -4.17 1.70 5.02 -0.48 -4.22 118.16 121.91 1wxr n LYS 318 Ca 0.01 -0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.07 1wxr n LYS 318 Cb 0.49 -1.62 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 1wxr n LYS 318 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wxr s ASP 319 N -4.69 1.53 0.19 4.39 -0.00 -1.25 -4.94 116.67 111.90 1wxr s ASP 319 Ca -0.04 -0.74 -0.31 0.00 -0.00 0.00 0.00 52.55 51.46 1wxr s ASP 319 Cb 0.13 -0.01 -0.09 0.00 -0.00 0.00 0.00 42.92 42.94 1wxr s ASP 319 CO 0.86 -0.19 1.43 -0.44 -0.00 0.00 0.00 175.17 176.83 1wxr s SER 320 N -2.19 6.72 -0.19 0.27 0.01 -1.26 -4.61 113.70 112.45 1wxr s SER 320 Ca 0.03 2.54 -0.06 0.00 1.31 0.00 0.00 55.95 59.77 1wxr s SER 320 Cb -0.06 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 1wxr s SER 320 CO 0.01 -0.69 0.01 -0.69 0.41 0.00 0.00 173.24 172.30 1wxr s VAL 321 N 0.49 4.19 -0.52 3.43 1.01 0.33 -4.85 120.40 124.48 1wxr s VAL 321 Ca 0.62 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 1wxr s VAL 321 Cb -0.40 -2.89 0.13 0.00 0.00 0.00 0.00 36.38 33.23 1wxr s VAL 321 CO 0.37 0.44 0.36 -0.44 0.00 0.00 0.00 175.10 175.84 1wxr s SER 322 N 0.73 5.57 0.00 3.32 0.01 -1.26 -1.59 113.70 120.48 1wxr s SER 322 Ca 0.01 -2.21 0.30 0.00 1.31 0.00 0.00 55.95 55.35 1wxr s SER 322 Cb -0.14 -1.95 1.41 0.00 0.21 0.00 0.00 66.02 65.55 1wxr s SER 322 CO 0.02 -0.57 2.00 1.67 0.41 0.00 0.00 173.24 176.77 1wxr n GLN 323 N 4.44 0.26 0.00 12.44 7.27 0.70 -1.14 117.38 141.34 1wxr n GLN 323 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1wxr n GLN 323 Cb 0.41 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.56 1wxr n GLN 323 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wxr n GLY 324 N 1.36 1.89 0.41 1.69 0.00 -1.26 -1.50 105.19 107.78 1wxr n GLY 324 Ca 0.11 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.75 1wxr n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr n ALA 325 N 10.73 2.48 -1.98 4.61 0.00 0.36 -2.79 120.51 133.91 1wxr n ALA 325 Ca 0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 1wxr n ALA 325 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1wxr n ALA 325 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wxr s GLY 326 N -1.08 2.84 0.40 0.00 0.00 -0.56 -4.46 107.32 104.46 1wxr s GLY 326 Ca 0.17 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.86 1wxr s GLY 326 CO 0.12 1.69 0.36 -1.35 0.00 0.00 0.00 173.10 173.92 1wxr s SER 327 N -0.22 5.08 -0.06 1.64 1.04 -1.26 0.31 113.70 120.23 1wxr s SER 327 Ca 0.49 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 56.27 1wxr s SER 327 Cb -0.31 -0.64 -0.01 0.00 0.10 0.00 0.00 66.02 65.16 1wxr s SER 327 CO 0.37 -0.59 -0.22 -0.76 0.98 0.00 0.00 173.24 173.02 1wxr s LEU 328 N -4.10 2.00 -0.08 2.42 1.43 -0.36 -1.57 118.68 118.42 1wxr s LEU 328 Ca 0.47 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1wxr s LEU 328 Cb -0.04 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 1wxr s LEU 328 CO 0.27 0.19 -0.23 -0.89 0.23 0.00 0.00 176.35 175.92 1wxr s THR 329 N 0.03 1.99 -0.29 5.49 2.01 0.02 -0.11 115.64 124.77 1wxr s THR 329 Ca -0.07 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.85 1wxr s THR 329 Cb -0.14 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 1wxr s THR 329 CO 0.04 0.55 0.11 -0.36 -0.69 0.00 0.00 174.62 174.27 1wxr s PHE 330 N 0.19 3.15 -0.65 4.92 0.40 -0.33 -0.21 117.98 125.46 1wxr s PHE 330 Ca -0.14 -0.68 0.23 0.00 -0.60 0.00 0.00 56.93 55.74 1wxr s PHE 330 Cb -0.16 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.08 1wxr s PHE 330 CO 0.07 -0.48 0.99 0.54 0.70 0.00 0.00 175.22 177.04 1wxr n ARG 331 N 4.93 0.26 -4.24 0.44 1.74 0.35 -1.26 116.66 118.87 1wxr n ARG 331 Ca -0.15 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.78 1wxr n ARG 331 Cb 0.49 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 1wxr n ARG 331 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wxr s ASP 332 N -3.79 1.00 0.31 0.55 1.11 -1.23 -4.93 116.67 109.69 1wxr s ASP 332 Ca 0.04 -1.24 -0.29 0.00 0.18 0.00 0.00 52.55 51.23 1wxr s ASP 332 Cb 0.15 0.17 -0.11 0.00 1.07 0.00 0.00 42.92 44.20 1wxr s ASP 332 CO 0.81 -0.65 1.50 0.20 1.18 0.00 0.00 175.17 178.22 1wxr s ASN 333 N -3.18 6.47 0.06 0.27 0.01 -1.26 -4.76 114.94 112.54 1wxr s ASN 333 Ca 0.28 2.89 -0.09 0.00 -0.71 0.00 0.00 52.86 55.23 1wxr s ASN 333 Cb 0.07 -2.64 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 1wxr s ASN 333 CO 0.06 -0.82 0.18 -0.31 -1.51 0.00 0.00 177.10 174.70 1wxr s TYR 334 N -0.39 0.11 -0.05 2.20 1.51 -1.00 -1.14 117.35 118.59 1wxr s TYR 334 Ca 0.58 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 56.28 1wxr s TYR 334 Cb -0.45 -0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.34 1wxr s TYR 334 CO 0.51 -0.46 -0.19 0.99 -1.11 0.00 0.00 175.55 175.29 1wxr s THR 335 N -3.03 1.59 -0.13 -0.71 2.01 -0.41 -1.03 115.64 113.93 1wxr s THR 335 Ca -0.01 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1wxr s THR 335 Cb 0.01 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.18 1wxr s THR 335 CO -0.06 0.45 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.48 1wxr s VAL 336 N -0.00 1.56 0.30 3.82 1.01 0.23 -0.93 120.40 126.38 1wxr s VAL 336 Ca -0.04 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1wxr s VAL 336 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1wxr s VAL 336 CO 0.03 0.46 0.19 0.42 0.00 0.00 0.00 175.10 176.19 1wxr s THR 337 N 1.24 0.16 0.02 3.92 -4.23 -0.15 -0.53 115.64 116.08 1wxr s THR 337 Ca -0.01 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1wxr s THR 337 Cb -0.14 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 1wxr s THR 337 CO -0.06 0.00 0.05 0.28 -0.54 0.00 0.00 174.62 174.35 1wxr s THR 338 N -3.65 0.11 -1.61 3.99 -1.32 -1.26 -0.88 115.64 111.02 1wxr s THR 338 Ca 0.37 -0.92 0.14 0.00 -1.21 0.00 0.00 61.69 60.07 1wxr s THR 338 Cb 0.04 -0.52 0.18 0.00 -1.51 0.00 0.00 72.50 70.69 1wxr s THR 338 CO 0.20 -0.51 1.04 -1.20 -2.21 0.00 0.00 174.62 171.93 1wxr n SER 339 N 1.29 2.41 -0.00 8.08 7.64 -1.26 -4.65 113.62 127.13 1wxr n SER 339 Ca -0.22 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 57.97 1wxr n SER 339 Cb 0.56 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1wxr n SER 339 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wxr n ASN 340 N 0.79 0.08 -0.05 6.43 5.15 -1.26 -5.01 115.26 121.39 1wxr n ASN 340 Ca 0.10 -0.54 -0.01 0.00 -0.60 0.00 0.00 54.58 53.53 1wxr n ASN 340 Cb 0.38 0.92 -0.00 0.00 -0.53 0.00 0.00 39.78 40.54 1wxr n ASN 340 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wxr n GLY 341 N 0.92 0.41 3.77 8.20 0.00 -1.26 -5.02 105.19 112.21 1wxr n GLY 341 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1wxr n GLY 341 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wxr s SER 342 N -2.10 6.61 0.43 1.61 0.01 -1.26 -4.95 113.70 114.06 1wxr s SER 342 Ca 0.00 2.58 0.07 0.00 1.31 0.00 0.00 55.95 59.91 1wxr s SER 342 Cb 0.00 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1wxr s SER 342 CO 0.00 -0.63 0.30 0.42 0.41 0.00 0.00 173.24 173.73 1wxr s THR 343 N -1.23 2.35 -0.01 1.44 -4.23 -1.26 -4.44 115.64 108.26 1wxr s THR 343 Ca 0.53 -1.52 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1wxr s THR 343 Cb -0.37 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1wxr s THR 343 CO 0.48 0.00 0.01 0.86 -0.54 0.00 0.00 174.62 175.43 1wxr s TRP 344 N -2.57 -0.01 0.03 3.99 -0.00 -0.97 -0.52 118.94 118.89 1wxr s TRP 344 Ca 0.43 0.04 0.00 0.00 -0.00 0.00 0.00 56.10 56.57 1wxr s TRP 344 Cb -0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 33.47 33.43 1wxr s TRP 344 CO 0.24 -0.02 -0.04 0.95 -0.00 0.00 0.00 176.95 178.09 1wxr s THR 345 N 0.12 0.17 0.00 5.86 -4.23 -0.62 -4.37 115.64 112.58 1wxr s THR 345 Ca -0.01 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1wxr s THR 345 Cb -0.01 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1wxr s THR 345 CO -0.00 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1wxr n GLY 346 N 1.38 0.70 0.22 3.99 0.00 -1.26 -0.22 105.19 110.01 1wxr n GLY 346 Ca -0.22 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.17 1wxr n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr h ALA 347 N 2.00 1.51 0.00 4.61 0.00 0.04 -3.46 119.26 123.95 1wxr h ALA 347 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wxr h ALA 347 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wxr h ALA 347 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1wxr n GLY 348 N -0.78 0.30 3.13 0.00 0.00 -1.26 -1.89 105.19 104.69 1wxr n GLY 348 Ca -0.01 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 1wxr n GLY 348 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxr s ILE 349 N -1.43 1.42 -0.21 -0.61 1.01 0.28 -1.22 121.20 120.43 1wxr s ILE 349 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1wxr s ILE 349 Cb 0.00 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1wxr s ILE 349 CO 0.00 0.41 -0.03 -0.69 0.00 0.00 0.00 174.94 174.63 1wxr s VAL 350 N 0.04 3.54 -0.40 2.92 1.01 0.84 -1.34 120.40 127.02 1wxr s VAL 350 Ca -0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1wxr s VAL 350 Cb -0.11 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.71 1wxr s VAL 350 CO 0.02 0.42 0.24 -0.69 0.00 0.00 0.00 175.10 175.09 1wxr s VAL 351 N 1.31 4.52 1.02 2.92 1.01 -0.77 -1.18 120.40 129.23 1wxr s VAL 351 Ca 0.04 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 1wxr s VAL 351 Cb -0.14 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 32.83 1wxr s VAL 351 CO -0.01 -0.34 1.10 0.47 0.00 0.00 0.00 175.10 176.31 1wxr n ASP 352 N 4.99 -0.45 -4.75 3.32 8.00 -0.39 0.40 116.55 127.67 1wxr n ASP 352 Ca -0.11 0.20 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 1wxr n ASP 352 Cb 0.45 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.14 1wxr n ASP 352 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1wxr s ASN 353 N -2.55 6.40 0.00 -2.24 3.84 -1.26 -1.44 114.94 117.69 1wxr s ASN 353 Ca 0.68 2.93 0.00 0.00 0.21 0.00 0.00 52.86 56.68 1wxr s ASN 353 Cb -0.24 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 37.82 1wxr s ASN 353 CO 0.61 -0.88 0.00 0.61 -2.79 0.00 0.00 177.10 174.65 1wxr n GLY 354 N 1.91 1.45 3.89 1.21 0.00 -1.26 -4.86 105.19 107.54 1wxr n GLY 354 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1wxr n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wxr s VAL 355 N -3.76 5.40 -0.11 1.61 1.01 -0.52 -4.95 120.40 119.09 1wxr s VAL 355 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1wxr s VAL 355 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1wxr s VAL 355 CO 0.00 0.40 -0.18 -0.44 0.00 0.00 0.00 175.10 174.88 1wxr s SER 356 N -1.70 2.65 -0.10 3.32 0.01 -1.26 -0.53 113.70 116.09 1wxr s SER 356 Ca 0.24 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.05 1wxr s SER 356 Cb -0.12 -1.21 -0.00 0.00 0.21 0.00 0.00 66.02 64.90 1wxr s SER 356 CO 0.15 0.06 -0.22 -0.69 0.41 0.00 0.00 173.24 172.94 1wxr s VAL 357 N 0.80 2.23 -0.30 3.43 1.01 0.10 -2.37 120.40 125.30 1wxr s VAL 357 Ca -0.10 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1wxr s VAL 357 Cb -0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1wxr s VAL 357 CO 0.01 0.56 0.14 0.21 0.00 0.00 0.00 175.10 176.01 1wxr s ASN 358 N 0.25 5.49 -0.28 3.32 3.84 -0.20 -0.35 114.94 127.00 1wxr s ASN 358 Ca -0.15 -0.46 -0.01 0.00 0.21 0.00 0.00 52.86 52.45 1wxr s ASN 358 Cb -0.17 -1.99 0.05 0.00 -0.55 0.00 0.00 41.25 38.59 1wxr s ASN 358 CO 0.08 -0.16 -0.03 0.86 -2.79 0.00 0.00 177.10 175.06 1wxr s TRP 359 N 1.61 3.22 -0.20 0.43 -0.11 0.51 -0.60 118.94 123.80 1wxr s TRP 359 Ca 0.05 -1.84 0.14 0.00 1.22 0.00 0.00 56.10 55.66 1wxr s TRP 359 Cb -0.17 -2.08 0.42 0.00 -1.50 0.00 0.00 33.47 30.14 1wxr s TRP 359 CO 0.06 -0.79 1.28 1.04 -4.62 0.00 0.00 176.95 173.92 1wxr n GLN 360 N 4.61 1.76 -4.79 5.86 6.02 0.31 -0.02 117.38 131.14 1wxr n GLN 360 Ca -0.14 -2.98 -0.33 0.00 -0.01 0.00 0.00 57.00 53.54 1wxr n GLN 360 Cb 0.44 -1.66 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 1wxr n GLN 360 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1wxr s VAL 361 N -3.06 3.06 0.81 5.09 1.01 -1.26 -4.40 120.40 121.64 1wxr s VAL 361 Ca 0.38 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1wxr s VAL 361 Cb 0.35 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1wxr s VAL 361 CO 0.00 0.53 1.13 0.20 0.00 0.00 0.00 175.10 176.96 1wxr s ASN 362 N 0.25 4.42 0.00 3.32 0.01 -1.26 -4.84 114.94 116.84 1wxr s ASN 362 Ca -0.09 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 53.11 1wxr s ASN 362 Cb -0.15 -1.69 0.00 0.00 0.41 0.00 0.00 41.25 39.81 1wxr s ASN 362 CO 0.05 -1.99 0.00 0.61 -1.51 0.00 0.00 177.10 174.27 1wxr n GLY 363 N -2.61 2.70 2.93 0.66 0.00 -1.26 -2.29 105.19 105.31 1wxr n GLY 363 Ca 0.07 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 1wxr n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wxr s VAL 364 N 3.05 0.42 0.14 1.61 1.01 -1.26 -4.62 120.40 120.75 1wxr s VAL 364 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 61.98 61.46 1wxr s VAL 364 Cb 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 36.38 35.83 1wxr s VAL 364 CO 0.00 0.14 1.31 1.17 0.00 0.00 0.00 175.10 177.72 1wxr n LYS 365 N 3.27 1.35 -0.42 2.72 4.81 -1.26 -1.23 118.16 127.39 1wxr n LYS 365 Ca -0.17 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1wxr n LYS 365 Cb 0.56 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1wxr n LYS 365 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wxr n GLY 366 N 2.42 1.02 3.30 3.14 0.00 -1.26 -4.93 105.19 108.88 1wxr n GLY 366 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1wxr n GLY 366 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wxr s ASP 367 N -3.03 2.73 -0.11 1.61 2.15 -0.36 -5.03 116.67 114.63 1wxr s ASP 367 Ca 0.00 -0.62 -0.00 0.00 0.43 0.00 0.00 52.55 52.36 1wxr s ASP 367 Cb 0.00 -0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.40 1wxr s ASP 367 CO 0.00 0.15 -0.10 0.20 -0.17 0.00 0.00 175.17 175.25 1wxr s ASN 368 N -1.55 4.33 0.12 -0.34 0.01 -1.26 -1.05 114.94 115.20 1wxr s ASN 368 Ca 0.09 -0.19 -0.31 0.00 -0.71 0.00 0.00 52.86 51.74 1wxr s ASN 368 Cb -0.10 -1.41 -0.07 0.00 0.41 0.00 0.00 41.25 40.08 1wxr s ASN 368 CO 0.03 0.24 1.26 -0.22 -1.51 0.00 0.00 177.10 176.90 1wxr s LEU 369 N -0.10 4.40 -0.16 0.60 0.20 0.26 -4.84 118.68 119.04 1wxr s LEU 369 Ca -0.00 2.19 -0.05 0.00 0.69 0.00 0.00 54.13 56.96 1wxr s LEU 369 Cb -0.13 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.00 1wxr s LEU 369 CO 0.03 -0.49 0.01 -1.00 -0.29 0.00 0.00 176.35 174.61 1wxr s HIS 370 N 0.67 3.15 -0.13 5.38 3.76 -1.26 0.99 115.29 127.84 1wxr s HIS 370 Ca 0.58 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 1wxr s HIS 370 Cb -0.33 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.39 1wxr s HIS 370 CO 0.32 0.12 -0.12 0.21 -0.85 0.00 0.00 174.74 174.43 1wxr s LYS 371 N 0.19 1.97 0.00 1.40 2.36 0.27 -0.56 119.74 125.37 1wxr s LYS 371 Ca 0.01 -0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.00 1wxr s LYS 371 Cb -0.13 -1.86 0.00 0.00 -1.05 0.00 0.00 37.83 34.79 1wxr s LYS 371 CO 0.02 -0.23 0.00 0.44 1.55 0.00 0.00 175.35 177.12 1wxr n ILE 372 N 4.78 0.00 0.00 5.43 -5.35 -0.45 -1.32 119.36 122.46 1wxr n ILE 372 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1wxr n ILE 372 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1wxr n ILE 372 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wxr n GLY 373 N 3.02 -0.94 0.04 3.28 0.00 -1.26 -1.85 105.19 107.47 1wxr n GLY 373 Ca 0.00 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.71 1wxr n GLY 373 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wxr n GLU 374 N -0.08 0.08 -0.18 1.61 1.02 -1.03 -1.80 120.64 120.26 1wxr n GLU 374 Ca 0.00 0.21 -0.04 0.00 -0.02 0.00 0.00 57.16 57.31 1wxr n GLU 374 Cb 0.00 -1.63 0.03 0.00 -0.02 0.00 0.00 31.44 29.82 1wxr n GLU 374 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wxr n GLY 375 N 0.64 -1.93 3.34 0.62 0.00 0.16 -4.30 105.19 103.73 1wxr n GLY 375 Ca 0.05 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 1wxr n GLY 375 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxr s THR 376 N -1.31 2.46 -0.26 2.61 2.01 0.31 -2.16 115.64 119.31 1wxr s THR 376 Ca 0.09 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 1wxr s THR 376 Cb -0.01 -1.93 0.04 0.00 0.01 0.00 0.00 72.50 70.61 1wxr s THR 376 CO 0.07 0.57 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.29 1wxr s LEU 377 N -0.29 3.38 -0.19 4.42 0.20 0.42 -0.72 118.68 125.91 1wxr s LEU 377 Ca 0.01 -1.07 -0.20 0.00 0.69 0.00 0.00 54.13 53.56 1wxr s LEU 377 Cb -0.13 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 1wxr s LEU 377 CO 0.03 -0.17 0.61 -0.89 -0.29 0.00 0.00 176.35 175.63 1wxr s THR 378 N 1.26 5.04 -0.26 3.68 2.01 0.52 -0.37 115.64 127.53 1wxr s THR 378 Ca -0.03 1.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.97 1wxr s THR 378 Cb -0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1wxr s THR 378 CO -0.04 0.13 0.38 -0.69 -0.69 0.00 0.00 174.62 173.72 1wxr s VAL 379 N 1.78 5.17 -0.35 3.82 1.01 0.12 -0.37 120.40 131.59 1wxr s VAL 379 Ca 0.28 0.61 0.15 0.00 0.00 0.00 0.00 61.98 63.02 1wxr s VAL 379 Cb -0.16 -3.71 0.42 0.00 0.00 0.00 0.00 36.38 32.93 1wxr s VAL 379 CO 0.10 0.17 0.99 1.67 0.00 0.00 0.00 175.10 178.04 1wxr n GLN 380 N 5.18 1.11 -1.61 2.72 7.27 0.97 -0.09 117.38 132.94 1wxr n GLN 380 Ca -0.08 -2.95 -0.23 0.00 0.07 0.00 0.00 57.00 53.81 1wxr n GLN 380 Cb 0.51 -1.11 0.16 0.00 2.41 0.00 0.00 30.24 32.21 1wxr n GLN 380 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wxr n GLY 381 N -0.07 -1.22 3.52 1.69 0.00 -1.25 -4.35 105.19 103.52 1wxr n GLY 381 Ca 0.10 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1wxr n GLY 381 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wxr s THR 382 N -3.26 3.36 0.00 2.61 -1.32 -1.26 -2.15 115.64 113.62 1wxr s THR 382 Ca 0.60 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1wxr s THR 382 Cb -0.02 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1wxr s THR 382 CO 0.42 0.59 0.00 0.61 -2.21 0.00 0.00 174.62 174.03 1wxr n GLY 383 N 2.29 -0.09 3.62 6.08 0.00 -0.58 -4.67 105.19 111.85 1wxr n GLY 383 Ca -0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1wxr n GLY 383 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxr s ILE 384 N 0.00 4.90 -0.29 -0.61 1.01 -1.26 -2.02 121.20 122.92 1wxr s ILE 384 Ca 0.00 1.15 -0.21 0.00 0.00 0.00 0.00 60.65 61.60 1wxr s ILE 384 Cb 0.00 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1wxr s ILE 384 CO 0.00 -0.10 0.65 0.21 0.00 0.00 0.00 174.94 175.70 1wxr s ASN 385 N 1.53 6.54 0.15 3.58 2.47 0.15 -4.90 114.94 124.46 1wxr s ASN 385 Ca 0.29 0.55 0.26 0.00 0.42 0.00 0.00 52.86 54.37 1wxr s ASN 385 Cb -0.15 -2.34 0.69 0.00 -1.45 0.00 0.00 41.25 38.00 1wxr s ASN 385 CO 0.10 -0.46 1.63 -0.62 -3.72 0.00 0.00 177.10 174.03 1wxr n GLU 386 N 5.87 0.23 -1.55 0.43 1.02 -1.26 -3.79 120.64 121.59 1wxr n GLU 386 Ca -0.00 0.14 -0.29 0.00 -0.02 0.00 0.00 57.16 56.98 1wxr n GLU 386 Cb 0.49 -1.72 0.11 0.00 -0.02 0.00 0.00 31.44 30.30 1wxr n GLU 386 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1wxr s GLY 387 N -3.50 1.60 0.48 0.62 0.00 -1.23 -4.22 107.32 101.07 1wxr s GLY 387 Ca 0.10 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.53 1wxr s GLY 387 CO 0.63 0.14 0.43 0.61 0.00 0.00 0.00 173.10 174.92 1wxr n GLY 388 N -2.16 2.61 3.15 0.20 0.00 -0.21 -0.48 105.19 108.31 1wxr n GLY 388 Ca 0.07 -2.27 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 1wxr n GLY 388 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wxr s LEU 389 N 0.00 1.97 -0.10 0.99 0.20 -0.06 -0.57 118.68 121.11 1wxr s LEU 389 Ca 0.32 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.85 1wxr s LEU 389 Cb -0.03 -0.93 0.00 0.00 -0.43 0.00 0.00 46.19 44.81 1wxr s LEU 389 CO 0.21 0.18 -0.22 -0.54 -0.29 0.00 0.00 176.35 175.69 1wxr s LYS 390 N -0.20 2.89 -0.09 1.98 1.02 0.28 -1.42 119.74 124.20 1wxr s LYS 390 Ca 0.02 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.23 1wxr s LYS 390 Cb -0.09 -2.22 -0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1wxr s LYS 390 CO 0.01 0.12 -0.23 0.54 -0.92 0.00 0.00 175.35 174.87 1wxr s VAL 391 N 0.47 1.96 0.00 3.17 0.11 -0.70 -0.56 120.40 124.85 1wxr s VAL 391 Ca -0.16 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 1wxr s VAL 391 Cb -0.17 -1.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 1wxr s VAL 391 CO 0.06 0.54 0.40 0.61 -3.33 0.00 0.00 175.10 173.38 1wxr n GLY 392 N 3.44 -1.00 3.67 6.54 0.00 -0.43 -2.00 105.19 115.40 1wxr n GLY 392 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1wxr n GLY 392 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wxr s ASP 393 N -0.16 -0.34 0.77 1.61 2.15 -1.24 -4.27 116.67 115.19 1wxr s ASP 393 Ca 0.00 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.65 1wxr s ASP 393 Cb 0.00 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 1wxr s ASP 393 CO 0.00 -1.07 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 1wxr n GLY 394 N -0.41 1.68 3.14 2.66 0.00 -0.75 -4.53 105.19 106.98 1wxr n GLY 394 Ca -0.09 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1wxr n GLY 394 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wxr s LYS 395 N 0.00 1.70 -0.15 1.61 2.20 -0.92 -1.34 119.74 122.85 1wxr s LYS 395 Ca 0.00 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1wxr s LYS 395 Cb 0.00 -1.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.82 1wxr s LYS 395 CO 0.00 0.26 -0.18 0.08 -0.36 0.00 0.00 175.35 175.16 1wxr s VAL 396 N -0.03 2.45 -0.25 4.02 1.01 0.43 -0.44 120.40 127.59 1wxr s VAL 396 Ca -0.02 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1wxr s VAL 396 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1wxr s VAL 396 CO 0.02 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.01 1wxr s VAL 397 N 0.84 4.22 -0.44 2.92 1.01 0.50 0.41 120.40 129.86 1wxr s VAL 397 Ca -0.05 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1wxr s VAL 397 Cb -0.15 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1wxr s VAL 397 CO -0.01 0.35 0.46 -0.76 0.00 0.00 0.00 175.10 175.14 1wxr s LEU 398 N 1.58 4.95 -0.08 3.92 1.43 0.36 0.10 118.68 130.94 1wxr s LEU 398 Ca 0.06 -0.76 0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1wxr s LEU 398 Cb -0.15 -2.38 0.43 0.00 0.03 0.00 0.00 46.19 44.12 1wxr s LEU 398 CO 0.03 -0.63 1.18 -3.20 0.23 0.00 0.00 176.35 173.96 1wxr n ASN 399 N 5.65 1.33 -4.68 2.29 4.05 0.87 -1.68 115.26 123.08 1wxr n ASN 399 Ca -0.08 -2.56 -0.40 0.00 0.45 0.00 0.00 54.58 52.00 1wxr n ASN 399 Cb 0.47 -0.37 0.03 0.00 1.23 0.00 0.00 39.78 41.13 1wxr n ASN 399 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1wxr n GLN 400 N -0.04 1.58 -4.28 1.20 -0.06 -0.82 -4.35 117.38 110.60 1wxr n GLN 400 Ca 0.11 0.57 -0.15 0.00 -2.00 0.00 0.00 57.00 55.52 1wxr n GLN 400 Cb 1.00 -2.34 -0.10 0.00 -4.06 0.00 0.00 30.24 24.74 1wxr n GLN 400 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1wxr s GLN 401 N -2.46 1.15 0.49 3.69 -1.52 -0.91 -4.89 119.66 115.20 1wxr s GLN 401 Ca 0.67 -1.51 -0.20 0.00 -1.95 0.00 0.00 55.36 52.36 1wxr s GLN 401 Cb -0.47 -0.71 -0.08 0.00 -0.22 0.00 0.00 33.01 31.53 1wxr s GLN 401 CO 0.53 0.06 1.05 0.00 -0.25 0.00 0.00 175.29 176.69 1wxr s ALA 402 N -3.28 2.87 0.87 6.09 0.00 -1.26 -1.52 121.76 125.53 1wxr s ALA 402 Ca 0.20 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 1wxr s ALA 402 Cb 0.03 -3.26 0.17 0.00 0.00 0.00 0.00 23.12 20.05 1wxr s ALA 402 CO 0.03 -0.35 1.05 -0.40 0.00 0.00 0.00 175.76 176.09 1wxr n ASP 403 N -0.94 0.55 0.00 0.00 5.68 -0.35 -4.52 116.55 116.97 1wxr n ASP 403 Ca 0.09 -1.66 0.05 0.00 -0.50 0.00 0.00 54.79 52.77 1wxr n ASP 403 Cb 0.52 -0.76 0.22 0.00 -1.14 0.00 0.00 41.12 39.97 1wxr n ASP 403 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1wxr n ASN 404 N -3.41 0.00 -0.78 -1.12 0.23 -1.26 -0.98 115.26 107.95 1wxr n ASN 404 Ca 0.15 0.41 0.12 0.00 -0.53 0.00 0.00 54.58 54.73 1wxr n ASN 404 Cb 0.51 -0.44 0.29 0.00 -2.08 0.00 0.00 39.78 38.06 1wxr n ASN 404 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1wxr n LYS 405 N -1.44 2.06 -0.91 -3.83 5.02 -1.26 -4.96 118.16 112.83 1wxr n LYS 405 Ca 0.03 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 1wxr n LYS 405 Cb 0.11 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1wxr n LYS 405 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wxr n GLY 406 N 1.29 0.51 3.82 0.72 0.00 -0.15 -5.03 105.19 106.34 1wxr n GLY 406 Ca 0.17 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1wxr n GLY 406 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxr s GLN 407 N -0.57 3.99 -0.15 1.61 -0.21 -1.26 -4.79 119.66 118.29 1wxr s GLN 407 Ca 0.00 0.41 -0.19 0.00 0.02 0.00 0.00 55.36 55.59 1wxr s GLN 407 Cb 0.00 -3.26 0.05 0.00 1.00 0.00 0.00 33.01 30.80 1wxr s GLN 407 CO 0.00 0.61 0.50 0.54 -2.12 0.00 0.00 175.29 174.82 1wxr s VAL 408 N -0.80 0.01 -0.30 1.09 0.11 -1.26 -1.21 120.40 118.03 1wxr s VAL 408 Ca 0.24 -0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 59.07 1wxr s VAL 408 Cb -0.16 -0.74 0.17 0.00 -1.53 0.00 0.00 36.38 34.12 1wxr s VAL 408 CO 0.13 -0.04 1.00 -1.58 -3.33 0.00 0.00 175.10 171.28 1wxr s GLN 409 N -0.17 0.27 0.07 1.54 0.74 -0.86 -4.77 119.66 116.48 1wxr s GLN 409 Ca -0.04 0.64 -0.24 0.00 0.05 0.00 0.00 55.36 55.77 1wxr s GLN 409 Cb -0.03 0.38 -0.16 0.00 1.10 0.00 0.00 33.01 34.30 1wxr s GLN 409 CO 0.02 -0.13 1.65 0.00 -0.55 0.00 0.00 175.29 176.29 1wxr h ALA 410 N 7.57 -0.07 -2.54 1.58 0.00 -0.71 0.46 119.26 125.55 1wxr h ALA 410 Ca -0.15 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1wxr h ALA 410 Cb 1.13 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.75 1wxr h ALA 410 CO 0.06 -0.50 -0.29 -0.06 0.00 0.00 0.00 179.25 178.46 1wxr s PHE 411 N -5.87 -0.13 -0.29 0.00 0.08 -1.22 -4.55 117.98 106.02 1wxr s PHE 411 Ca -0.14 0.11 0.27 0.00 0.12 0.00 0.00 56.93 57.29 1wxr s PHE 411 Cb 0.05 0.08 0.70 0.00 -0.57 0.00 0.00 43.02 43.28 1wxr s PHE 411 CO 0.66 -0.42 1.74 0.66 -0.10 0.00 0.00 175.22 177.76 1wxr h SER 412 N 3.68 0.00 -4.85 1.36 4.64 -0.87 -3.43 113.55 114.08 1wxr h SER 412 Ca -0.30 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1wxr h SER 412 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1wxr h SER 412 CO 0.42 0.00 0.31 -0.94 -0.87 0.00 0.00 176.83 175.76 1wxr s SER 413 N -5.93 -0.51 -0.06 4.97 1.04 -1.26 -4.84 113.70 107.11 1wxr s SER 413 Ca 0.05 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 1wxr s SER 413 Cb 0.07 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1wxr s SER 413 CO 0.62 -0.80 -0.01 -0.69 0.98 0.00 0.00 173.24 173.34 1wxr s VAL 414 N -3.18 0.44 -0.15 5.02 1.01 -0.60 -0.88 120.40 122.06 1wxr s VAL 414 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1wxr s VAL 414 Cb -0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1wxr s VAL 414 CO -0.09 0.25 -0.05 0.21 0.00 0.00 0.00 175.10 175.42 1wxr s ASN 415 N 1.65 4.69 -0.25 3.32 2.47 -0.51 -0.37 114.94 125.95 1wxr s ASN 415 Ca 0.00 -0.15 -0.05 0.00 0.42 0.00 0.00 52.86 53.09 1wxr s ASN 415 Cb -0.13 -1.73 0.00 0.00 -1.45 0.00 0.00 41.25 37.94 1wxr s ASN 415 CO -0.04 0.18 0.01 -0.63 -3.72 0.00 0.00 177.10 172.90 1wxr s ILE 416 N 0.29 3.58 0.12 -5.21 1.01 0.25 -1.72 121.20 119.53 1wxr s ILE 416 Ca -0.04 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1wxr s ILE 416 Cb -0.14 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1wxr s ILE 416 CO 0.03 0.26 0.14 0.00 0.00 0.00 0.00 174.94 175.37 1wxr s ALA 417 N 1.47 0.38 0.00 9.38 0.00 -0.85 -0.10 121.76 132.04 1wxr s ALA 417 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1wxr s ALA 417 Cb -0.16 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1wxr s ALA 417 CO -0.01 -0.53 0.00 -1.13 0.00 0.00 0.00 175.76 174.09 1wxr n SER 418 N -0.10 0.00 0.00 0.00 3.41 0.97 -4.24 113.62 113.67 1wxr n SER 418 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1wxr n SER 418 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1wxr n SER 418 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxr n GLY 419 N -2.00 1.60 0.14 5.00 0.00 -0.26 -4.83 105.19 104.83 1wxr n GLY 419 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1wxr n GLY 419 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wxr h ARG 420 N 2.83 0.31 -6.66 1.61 3.08 -1.75 -3.43 114.38 110.37 1wxr h ARG 420 Ca 0.00 -0.53 -0.45 0.00 0.07 0.00 0.00 59.98 59.07 1wxr h ARG 420 Cb 0.00 0.20 0.03 0.00 0.08 0.00 0.00 29.97 30.28 1wxr h ARG 420 CO 0.00 1.21 -0.13 -1.25 -1.07 0.00 0.00 179.97 178.73 1wxr s PRO 421 N -2.58 2.89 -0.03 0.04 0.04 -1.26 -4.45 135.00 129.65 1wxr s PRO 421 Ca -0.17 -0.73 0.02 0.00 0.04 0.00 0.00 61.00 60.16 1wxr s PRO 421 Cb 0.06 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1wxr s PRO 421 CO 0.82 -0.36 -0.06 0.99 0.04 0.00 0.00 177.00 178.44 1wxr s THR 422 N -2.54 0.56 -0.18 1.26 2.01 -0.45 -1.10 115.64 115.21 1wxr s THR 422 Ca 0.51 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 1wxr s THR 422 Cb -0.10 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1wxr s THR 422 CO 0.37 0.21 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.76 1wxr s VAL 423 N 0.55 3.52 -0.16 3.82 1.01 0.36 -0.43 120.40 129.06 1wxr s VAL 423 Ca -0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1wxr s VAL 423 Cb -0.11 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1wxr s VAL 423 CO 0.00 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1wxr s VAL 424 N 0.87 3.70 -0.28 2.92 1.01 0.17 -0.20 120.40 128.58 1wxr s VAL 424 Ca -0.01 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1wxr s VAL 424 Cb -0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1wxr s VAL 424 CO 0.01 0.48 0.61 -0.76 0.00 0.00 0.00 175.10 175.44 1wxr s LEU 425 N 0.56 4.10 0.34 3.92 1.02 -0.68 -0.49 118.68 127.46 1wxr s LEU 425 Ca -0.04 0.53 0.18 0.00 0.02 0.00 0.00 54.13 54.83 1wxr s LEU 425 Cb -0.15 -2.80 0.30 0.00 0.02 0.00 0.00 46.19 43.57 1wxr s LEU 425 CO 0.03 -0.41 1.56 0.71 0.02 0.00 0.00 176.35 178.25 1wxr h THR 426 N 5.48 0.67 -1.99 5.49 1.35 -1.65 -3.40 112.91 118.85 1wxr h THR 426 Ca -0.27 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 1wxr h THR 426 Cb 1.12 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1wxr h THR 426 CO 0.78 0.36 0.00 -0.90 -0.25 0.00 0.00 175.52 175.51 1wxr n ASP 427 N -3.25 0.00 -0.74 5.36 5.68 -1.26 -4.98 116.55 117.35 1wxr n ASP 427 Ca 0.02 -0.99 0.09 0.00 -0.50 0.00 0.00 54.79 53.41 1wxr n ASP 427 Cb 0.63 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.90 1wxr n ASP 427 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wxr n GLU 428 N 0.00 1.96 -0.02 0.11 1.02 -1.26 -4.05 120.64 118.40 1wxr n GLU 428 Ca 0.00 -1.46 0.03 0.00 -0.02 0.00 0.00 57.16 55.71 1wxr n GLU 428 Cb 0.00 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.07 1wxr n GLU 428 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wxr n ARG 429 N 0.68 0.43 -0.14 3.49 1.74 -1.26 -4.66 116.66 116.95 1wxr n ARG 429 Ca 0.16 -1.06 -0.07 0.00 -0.77 0.00 0.00 57.85 56.11 1wxr n ARG 429 Cb 0.39 -1.14 0.09 0.00 -1.02 0.00 0.00 32.46 30.78 1wxr n ARG 429 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1wxr h GLN 430 N 1.33 0.89 -1.97 5.56 1.08 -1.90 -3.38 115.11 116.70 1wxr h GLN 430 Ca 0.00 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 56.86 1wxr h GLN 430 Cb 0.34 -0.07 -0.21 0.00 -0.05 0.00 0.00 27.48 27.49 1wxr h GLN 430 CO 0.00 0.94 0.16 0.54 -0.95 0.00 0.00 178.83 179.52 1wxr s VAL 431 N -4.85 0.00 -0.12 -0.54 0.11 -1.26 -0.10 120.40 113.64 1wxr s VAL 431 Ca -0.10 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 1wxr s VAL 431 Cb 0.14 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1wxr s VAL 431 CO 0.84 0.00 1.41 0.21 -3.33 0.00 0.00 175.10 174.23 1wxr s ASN 432 N 0.13 6.84 0.49 3.54 3.84 -1.26 -4.92 114.94 123.60 1wxr s ASN 432 Ca -0.01 1.91 0.21 0.00 0.21 0.00 0.00 52.86 55.18 1wxr s ASN 432 Cb -0.04 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.39 1wxr s ASN 432 CO 0.02 -0.82 1.98 -0.65 -2.79 0.00 0.00 177.10 174.84 1wxr h PRO 433 N 8.68 0.14 0.00 0.43 0.11 -1.96 0.24 132.00 139.64 1wxr h PRO 433 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1wxr h PRO 433 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wxr h PRO 433 CO 0.96 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.59 1wxr n ASP 434 N -4.42 0.46 -0.78 -2.05 10.43 -1.26 -2.13 116.55 116.79 1wxr n ASP 434 Ca 0.10 0.62 0.12 0.00 2.57 0.00 0.00 54.79 58.20 1wxr n ASP 434 Cb 0.54 -0.71 0.30 0.00 1.84 0.00 0.00 41.12 43.08 1wxr n ASP 434 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1wxr n THR 435 N -2.01 0.14 -3.35 -3.53 -2.24 0.84 -4.85 114.28 99.27 1wxr n THR 435 Ca 0.02 -0.45 -0.38 0.00 -2.27 0.00 0.00 64.05 60.97 1wxr n THR 435 Cb 0.20 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 1wxr n THR 435 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1wxr s VAL 436 N -1.86 4.92 0.05 2.28 -7.23 -0.90 -1.55 120.40 116.09 1wxr s VAL 436 Ca 0.34 1.05 0.02 0.00 -1.81 0.00 0.00 61.98 61.58 1wxr s VAL 436 Cb 0.20 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1wxr s VAL 436 CO 0.31 0.52 -0.07 -0.94 -0.31 0.00 0.00 175.10 174.61 1wxr s SER 437 N -0.78 0.77 -0.20 4.85 1.04 0.50 -4.33 113.70 115.55 1wxr s SER 437 Ca 0.27 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 1wxr s SER 437 Cb -0.18 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 1wxr s SER 437 CO 0.16 -0.28 -0.06 0.26 0.98 0.00 0.00 173.24 174.29 1wxr s TRP 438 N -1.85 2.93 0.00 5.02 0.51 0.35 -0.58 118.94 125.31 1wxr s TRP 438 Ca -0.07 -0.88 0.00 0.00 -2.12 0.00 0.00 56.10 53.03 1wxr s TRP 438 Cb -0.07 -2.04 0.00 0.00 -0.81 0.00 0.00 33.47 30.55 1wxr s TRP 438 CO -0.01 -0.47 0.00 0.41 -0.51 0.00 0.00 176.95 176.37 1wxr n GLY 439 N 4.48 1.29 3.60 0.98 0.00 0.85 -1.11 105.19 115.28 1wxr n GLY 439 Ca -0.18 -1.84 -0.46 0.00 0.00 0.00 0.00 46.02 43.54 1wxr n GLY 439 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wxr n TYR 440 N 0.00 2.09 -0.77 1.61 9.36 -1.26 -0.43 117.16 127.75 1wxr n TYR 440 Ca 0.00 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1wxr n TYR 440 Cb 0.00 -2.68 0.00 0.00 -0.63 0.00 0.00 39.34 36.03 1wxr n TYR 440 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1wxr n ARG 441 N 7.79 0.00 0.00 2.98 1.74 -1.26 -0.02 116.66 127.89 1wxr n ARG 441 Ca 0.28 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1wxr n ARG 441 Cb 0.35 -3.02 0.00 0.00 -1.02 0.00 0.00 32.46 28.77 1wxr n ARG 441 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxr n GLY 442 N -2.00 3.59 0.00 -0.13 0.00 0.43 -2.52 105.19 104.56 1wxr n GLY 442 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1wxr n GLY 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wxr n GLY 443 N 0.00 0.94 3.49 -0.02 0.00 0.69 -1.11 105.19 109.18 1wxr n GLY 443 Ca 0.00 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1wxr n GLY 443 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxr s THR 444 N -1.34 4.06 -0.35 2.61 2.01 -0.25 -0.16 115.64 122.21 1wxr s THR 444 Ca 0.00 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 1wxr s THR 444 Cb 0.00 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1wxr s THR 444 CO 0.00 0.45 0.42 -0.22 -0.69 0.00 0.00 174.62 174.58 1wxr s LEU 445 N 0.73 4.45 -0.43 4.42 0.20 0.59 -0.49 118.68 128.15 1wxr s LEU 445 Ca 0.00 -0.21 -0.14 0.00 0.69 0.00 0.00 54.13 54.47 1wxr s LEU 445 Cb -0.14 -2.42 0.05 0.00 -0.43 0.00 0.00 46.19 43.24 1wxr s LEU 445 CO 0.02 -0.41 0.32 -0.62 -0.29 0.00 0.00 176.35 175.37 1wxr s ASP 446 N 1.75 6.03 0.12 3.68 2.15 0.72 -0.60 116.67 130.53 1wxr s ASP 446 Ca 0.14 -1.13 0.24 0.00 0.43 0.00 0.00 52.55 52.23 1wxr s ASP 446 Cb -0.16 -2.14 0.93 0.00 -0.30 0.00 0.00 42.92 41.26 1wxr s ASP 446 CO 0.12 -0.52 1.75 1.33 -0.17 0.00 0.00 175.17 177.68 1wxr n VAL 447 N 5.13 0.55 -3.64 1.11 0.24 -0.17 -1.69 118.33 119.86 1wxr n VAL 447 Ca -0.12 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.97 1wxr n VAL 447 Cb 0.45 -0.76 0.05 0.00 -1.47 0.00 0.00 33.84 32.12 1wxr n VAL 447 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1wxr n ASN 448 N -1.91 -2.37 0.00 -1.34 5.15 -1.26 -1.60 115.26 111.93 1wxr n ASN 448 Ca 0.05 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1wxr n ASN 448 Cb 0.32 -4.44 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 1wxr n ASN 448 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wxr n GLY 449 N -1.50 0.74 3.39 8.20 0.00 -1.26 -4.93 105.19 109.83 1wxr n GLY 449 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1wxr n GLY 449 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wxr s ASN 450 N -2.40 4.69 0.15 1.61 0.01 -0.63 -4.66 114.94 113.72 1wxr s ASN 450 Ca 0.00 -0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 51.56 1wxr s ASN 450 Cb 0.00 -1.82 -0.08 0.00 0.41 0.00 0.00 41.25 39.77 1wxr s ASN 450 CO 0.00 -0.00 1.23 -0.44 -1.51 0.00 0.00 177.10 176.38 1wxr s SER 451 N 1.39 7.03 0.06 -1.22 0.01 -1.26 -4.64 113.70 115.07 1wxr s SER 451 Ca 0.05 2.22 0.03 0.00 1.31 0.00 0.00 55.95 59.56 1wxr s SER 451 Cb -0.15 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1wxr s SER 451 CO 0.00 -0.45 -0.09 -0.76 0.41 0.00 0.00 173.24 172.35 1wxr s LEU 452 N 0.20 2.30 -0.16 2.44 1.02 -0.63 -4.94 118.68 118.90 1wxr s LEU 452 Ca 0.56 -0.63 -0.01 0.00 0.02 0.00 0.00 54.13 54.06 1wxr s LEU 452 Cb -0.33 -0.25 -0.01 0.00 0.02 0.00 0.00 46.19 45.62 1wxr s LEU 452 CO 0.35 -0.20 -0.11 -0.89 0.02 0.00 0.00 176.35 175.51 1wxr s THR 453 N -1.66 3.06 -0.11 5.49 2.01 -1.26 -0.01 115.64 123.15 1wxr s THR 453 Ca -0.05 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 1wxr s THR 453 Cb -0.08 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1wxr s THR 453 CO 0.00 0.50 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.00 1wxr s PHE 454 N 0.76 2.94 -0.80 4.92 0.40 0.38 -4.62 117.98 121.96 1wxr s PHE 454 Ca -0.05 -0.22 0.23 0.00 -0.60 0.00 0.00 56.93 56.29 1wxr s PHE 454 Cb -0.15 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.59 1wxr s PHE 454 CO 0.01 0.09 1.04 0.72 0.70 0.00 0.00 175.22 177.79 1wxr n HIS 455 N 2.94 0.10 -3.56 0.36 8.25 -1.26 -0.39 115.22 121.67 1wxr n HIS 455 Ca -0.18 0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.18 1wxr n HIS 455 Cb 0.53 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 1wxr n HIS 455 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1wxr s GLN 456 N -3.10 1.08 -0.42 -0.41 -2.07 -1.26 -4.01 119.66 109.46 1wxr s GLN 456 Ca 0.06 -0.33 0.02 0.00 -1.82 0.00 0.00 55.36 53.29 1wxr s GLN 456 Cb 0.16 0.49 0.14 0.00 -1.09 0.00 0.00 33.01 32.70 1wxr s GLN 456 CO 0.81 -0.41 0.23 -0.51 -1.32 0.00 0.00 175.29 174.09 1wxr s LEU 457 N -2.19 2.32 -1.15 2.60 1.02 -1.26 -4.70 118.68 115.31 1wxr s LEU 457 Ca -0.03 -2.54 -0.18 0.00 0.02 0.00 0.00 54.13 51.40 1wxr s LEU 457 Cb -0.00 -0.89 0.11 0.00 0.02 0.00 0.00 46.19 45.43 1wxr s LEU 457 CO -0.05 -0.27 1.47 -0.54 0.02 0.00 0.00 176.35 176.98 1wxr s LYS 458 N 0.50 3.89 -0.16 1.70 -0.14 -1.26 -4.93 119.74 119.33 1wxr s LYS 458 Ca 0.18 -2.01 -0.00 0.00 -1.36 0.00 0.00 55.97 52.78 1wxr s LYS 458 Cb -0.24 -5.23 0.03 0.00 -1.68 0.00 0.00 37.83 30.72 1wxr s LYS 458 CO 0.00 -1.99 -0.08 0.00 -0.76 0.00 0.00 175.35 172.51 1wxr s ALA 459 N 3.17 1.62 0.19 5.17 0.00 -1.26 -0.50 121.76 130.16 1wxr s ALA 459 Ca 0.45 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1wxr s ALA 459 Cb -0.01 -1.09 0.12 0.00 0.00 0.00 0.00 23.12 22.14 1wxr s ALA 459 CO -0.01 -0.63 1.59 0.00 0.00 0.00 0.00 175.76 176.70 1wxr h ALA 460 N 8.09 0.79 -2.00 0.00 0.00 -1.36 -3.42 119.26 121.36 1wxr h ALA 460 Ca -0.29 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.24 1wxr h ALA 460 Cb 1.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wxr h ALA 460 CO 0.44 0.65 0.07 -0.40 0.00 0.00 0.00 179.25 180.01 1wxr n ASP 461 N -4.10 -0.35 0.24 0.00 3.85 -1.26 -4.52 116.55 110.42 1wxr n ASP 461 Ca -0.00 -1.22 0.07 0.00 -0.71 0.00 0.00 54.79 52.93 1wxr n ASP 461 Cb 0.46 0.57 0.59 0.00 -1.35 0.00 0.00 41.12 41.39 1wxr n ASP 461 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.20 176.41 1wxr h TYR 462 N 1.16 0.00 0.00 2.11 3.20 -1.93 -2.23 116.97 119.28 1wxr h TYR 462 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1wxr h TYR 462 Cb 0.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1wxr h TYR 462 CO 0.00 0.09 0.00 0.41 -1.64 0.00 0.00 178.16 177.02 1wxr n GLY 463 N -1.24 -0.47 3.60 1.82 0.00 -1.26 -4.31 105.19 103.32 1wxr n GLY 463 Ca -0.03 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1wxr n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr s ALA 464 N -2.59 3.08 -0.21 4.61 0.00 -0.84 -0.22 121.76 125.59 1wxr s ALA 464 Ca 0.05 -0.48 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 1wxr s ALA 464 Cb 0.04 -3.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.19 1wxr s ALA 464 CO 0.08 -2.40 0.02 0.08 0.00 0.00 0.00 175.76 173.54 1wxr s VAL 465 N 4.84 4.02 -0.28 0.00 1.01 0.77 -0.32 120.40 130.43 1wxr s VAL 465 Ca 0.50 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1wxr s VAL 465 Cb -0.09 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1wxr s VAL 465 CO 0.31 0.41 0.11 -0.22 0.00 0.00 0.00 175.10 175.71 1wxr s LEU 466 N 1.17 3.78 0.15 3.92 2.96 0.01 -0.30 118.68 130.36 1wxr s LEU 466 Ca 0.03 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1wxr s LEU 466 Cb -0.14 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1wxr s LEU 466 CO 0.02 -0.11 -0.02 0.00 -1.32 0.00 0.00 176.35 174.92 1wxr s ALA 467 N 1.62 1.20 -0.21 5.97 0.00 0.23 -0.97 121.76 129.61 1wxr s ALA 467 Ca 0.06 -1.50 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1wxr s ALA 467 Cb -0.16 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.45 1wxr s ALA 467 CO 0.05 -0.30 0.05 1.21 0.00 0.00 0.00 175.76 176.77 1wxr s ASN 468 N -3.12 3.10 -0.35 0.00 2.47 -0.60 -1.00 114.94 115.44 1wxr s ASN 468 Ca 0.20 -0.95 0.09 0.00 0.42 0.00 0.00 52.86 52.61 1wxr s ASN 468 Cb 0.06 -0.63 0.72 0.00 -1.45 0.00 0.00 41.25 39.95 1wxr s ASN 468 CO 0.01 -0.32 1.82 0.59 -3.72 0.00 0.00 177.10 175.48 1wxr n ASN 469 N 5.03 4.54 -4.26 -4.21 3.02 -1.26 -0.67 115.26 117.44 1wxr n ASN 469 Ca -0.08 -3.33 -0.17 0.00 -0.03 0.00 0.00 54.58 50.97 1wxr n ASN 469 Cb 0.46 -0.76 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 1wxr n ASN 469 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wxr s VAL 470 N -3.07 1.33 -2.01 2.41 0.11 -1.26 -5.04 120.40 112.86 1wxr s VAL 470 Ca 0.55 -1.87 0.19 0.00 -2.93 0.00 0.00 61.98 57.92 1wxr s VAL 470 Cb 0.45 -1.67 0.52 0.00 -1.53 0.00 0.00 36.38 34.15 1wxr s VAL 470 CO 0.13 -0.53 1.70 -0.90 -3.33 0.00 0.00 175.10 172.17 1wxr n ASP 471 N 0.22 0.08 -4.61 3.54 5.68 -1.26 -4.56 116.55 115.64 1wxr n ASP 471 Ca -0.13 -1.43 -0.42 0.00 -0.50 0.00 0.00 54.79 52.31 1wxr n ASP 471 Cb 0.58 -0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.51 1wxr n ASP 471 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1wxr s LYS 472 N -1.99 3.96 0.31 0.11 2.20 -1.26 -5.04 119.74 118.03 1wxr s LYS 472 Ca 0.28 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.12 1wxr s LYS 472 Cb 0.13 -3.72 -0.10 0.00 -1.51 0.00 0.00 37.83 32.62 1wxr s LYS 472 CO 0.22 -0.63 1.42 0.50 -0.36 0.00 0.00 175.35 176.49 1wxr s ARG 473 N 2.84 4.25 0.11 4.03 6.06 -1.26 -4.20 118.95 130.78 1wxr s ARG 473 Ca 0.30 2.35 0.07 0.00 -2.50 0.00 0.00 55.73 55.96 1wxr s ARG 473 Cb -0.14 -3.06 -0.04 0.00 0.06 0.00 0.00 34.95 31.77 1wxr s ARG 473 CO 0.12 -0.38 -0.18 0.00 -2.50 0.00 0.00 175.30 172.36 1wxr s ALA 474 N -0.64 1.66 -0.17 6.12 0.00 -1.08 -4.83 121.76 122.82 1wxr s ALA 474 Ca 0.55 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 1wxr s ALA 474 Cb -0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1wxr s ALA 474 CO 0.51 0.26 -0.08 0.99 0.00 0.00 0.00 175.76 177.45 1wxr s THR 475 N -1.49 3.36 -0.35 0.00 2.01 -1.26 -1.07 115.64 116.84 1wxr s THR 475 Ca 0.07 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 1wxr s THR 475 Cb -0.08 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1wxr s THR 475 CO 0.04 0.48 0.64 -0.63 -0.69 0.00 0.00 174.62 174.45 1wxr s ILE 476 N 0.80 4.90 -0.28 1.82 -1.09 -0.08 -1.61 121.20 125.65 1wxr s ILE 476 Ca -0.03 0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 58.84 1wxr s ILE 476 Cb -0.15 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1wxr s ILE 476 CO 0.01 -0.29 0.54 -0.89 -1.23 0.00 0.00 174.94 173.08 1wxr s THR 477 N 2.70 5.03 -0.17 2.92 2.01 0.98 -0.76 115.64 128.35 1wxr s THR 477 Ca 0.25 0.79 -0.14 0.00 0.31 0.00 0.00 61.69 62.89 1wxr s THR 477 Cb -0.15 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1wxr s THR 477 CO 0.14 -0.01 0.29 -0.76 -0.69 0.00 0.00 174.62 173.59 1wxr s LEU 478 N 2.38 4.22 -0.40 4.42 1.02 0.22 -0.47 118.68 130.08 1wxr s LEU 478 Ca 0.21 0.47 0.09 0.00 0.02 0.00 0.00 54.13 54.92 1wxr s LEU 478 Cb -0.15 -2.36 0.29 0.00 0.02 0.00 0.00 46.19 43.99 1wxr s LEU 478 CO 0.10 0.08 0.69 -0.67 0.02 0.00 0.00 176.35 176.58 1wxr n ASP 479 N 3.71 -0.19 -0.47 2.29 4.64 0.48 -4.38 116.55 122.63 1wxr n ASP 479 Ca -0.12 -2.97 0.12 0.00 -1.38 0.00 0.00 54.79 50.44 1wxr n ASP 479 Cb 0.52 -0.11 0.16 0.00 -1.04 0.00 0.00 41.12 40.65 1wxr n ASP 479 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wxr n TYR 480 N 0.95 0.00 -2.23 -0.67 4.11 -1.26 -4.26 117.16 113.80 1wxr n TYR 480 Ca 0.20 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.76 1wxr n TYR 480 Cb 0.60 -0.04 -0.00 0.00 -0.00 0.00 0.00 39.34 39.90 1wxr n TYR 480 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1wxr s ALA 481 N -2.40 2.77 -0.15 -3.48 0.00 -1.26 -5.00 121.76 112.24 1wxr s ALA 481 Ca 0.23 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.47 1wxr s ALA 481 Cb 0.19 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 1wxr s ALA 481 CO 0.51 -0.65 0.73 -1.17 0.00 0.00 0.00 175.76 175.18 1wxr s LEU 482 N -4.09 4.20 0.09 0.00 0.20 -1.26 -5.07 118.68 112.74 1wxr s LEU 482 Ca 0.66 1.06 -0.06 0.00 0.69 0.00 0.00 54.13 56.48 1wxr s LEU 482 Cb -0.17 -3.08 -0.05 0.00 -0.43 0.00 0.00 46.19 42.46 1wxr s LEU 482 CO 0.30 -0.28 0.34 -0.13 -0.29 0.00 0.00 176.35 176.29 1wxr s ARG 483 N 1.72 3.63 0.27 1.98 0.52 -1.26 -4.78 118.95 121.03 1wxr s ARG 483 Ca 0.35 -0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.49 1wxr s ARG 483 Cb -0.17 -2.96 0.59 0.00 0.52 0.00 0.00 34.95 32.94 1wxr s ARG 483 CO 0.13 0.55 1.65 0.00 0.02 0.00 0.00 175.30 177.65 1wxr h ALA 484 N 3.35 1.08 -0.12 2.13 0.00 -1.92 -0.21 119.26 123.57 1wxr h ALA 484 Ca -0.48 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wxr h ALA 484 Cb 1.18 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1wxr h ALA 484 CO 0.70 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.12 1wxr n ASP 485 N -5.25 0.83 -0.65 0.00 3.85 -1.26 -1.93 116.55 112.13 1wxr n ASP 485 Ca 0.18 -1.77 0.06 0.00 -0.71 0.00 0.00 54.79 52.55 1wxr n ASP 485 Cb 0.58 -0.08 0.15 0.00 -1.35 0.00 0.00 41.12 40.43 1wxr n ASP 485 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wxr n LYS 486 N -0.15 2.73 -2.66 0.11 4.76 -0.09 -4.97 118.16 117.89 1wxr n LYS 486 Ca 0.10 -2.02 -0.43 0.00 -2.87 0.00 0.00 58.31 53.09 1wxr n LYS 486 Cb 0.16 -1.28 -0.02 0.00 -1.84 0.00 0.00 35.03 32.06 1wxr n LYS 486 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wxr s VAL 487 N -1.00 4.53 0.38 -0.18 1.01 -0.81 -4.96 120.40 119.38 1wxr s VAL 487 Ca 0.24 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.66 1wxr s VAL 487 Cb 0.12 -4.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1wxr s VAL 487 CO 0.16 -0.45 1.47 0.00 0.00 0.00 0.00 175.10 176.28 1wxr s ALA 488 N 3.59 3.53 -0.44 5.51 0.00 -1.26 -4.97 121.76 127.72 1wxr s ALA 488 Ca 0.45 1.55 -0.16 0.00 0.00 0.00 0.00 51.96 53.80 1wxr s ALA 488 Cb -0.12 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 19.43 1wxr s ALA 488 CO 0.15 -1.06 0.41 -0.51 0.00 0.00 0.00 175.76 174.75 1wxr s LEU 489 N -2.16 5.16 0.41 0.00 2.01 -1.26 -4.33 118.68 118.51 1wxr s LEU 489 Ca 0.54 -0.95 -0.06 0.00 0.01 0.00 0.00 54.13 53.67 1wxr s LEU 489 Cb -0.46 -2.27 -0.05 0.00 0.01 0.00 0.00 46.19 43.42 1wxr s LEU 489 CO 0.62 -0.60 0.72 0.20 1.01 0.00 0.00 176.35 178.30 1wxr s ASN 490 N 2.10 6.37 -0.11 2.29 0.01 -0.16 -4.85 114.94 120.59 1wxr s ASN 490 Ca 0.08 0.91 -0.03 0.00 -0.71 0.00 0.00 52.86 53.11 1wxr s ASN 490 Cb -0.20 -2.23 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1wxr s ASN 490 CO 0.10 -0.43 -0.01 -0.83 -1.51 0.00 0.00 177.10 174.42 1wxr s GLY 491 N -3.65 1.81 0.23 0.66 0.00 -1.26 -2.11 107.32 102.99 1wxr s GLY 491 Ca 0.47 -0.81 -0.32 0.00 0.00 0.00 0.00 44.72 44.06 1wxr s GLY 491 CO 0.37 -0.40 1.46 1.87 0.00 0.00 0.00 173.10 176.40 1wxr n TRP 492 N 2.62 2.25 -4.96 1.90 -0.00 -1.26 -5.01 117.44 112.98 1wxr n TRP 492 Ca -0.18 0.38 -0.31 0.00 -0.00 0.00 0.00 57.50 57.39 1wxr n TRP 492 Cb 0.53 -2.49 -0.14 0.00 -0.00 0.00 0.00 31.31 29.21 1wxr n TRP 492 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1wxr s SER 493 N 0.43 3.49 0.55 5.87 0.15 -1.26 -5.00 113.70 117.93 1wxr s SER 493 Ca 0.70 -0.42 0.37 0.00 0.70 0.00 0.00 55.95 57.29 1wxr s SER 493 Cb -0.64 -0.51 1.96 0.00 -1.71 0.00 0.00 66.02 65.11 1wxr s SER 493 CO 0.47 0.30 2.12 1.05 1.20 0.00 0.00 173.24 178.38 1wxr h GLU 494 N 5.06 0.00 -0.33 5.44 4.11 -1.98 -0.69 114.58 126.19 1wxr h GLU 494 Ca -0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.95 1wxr h GLU 494 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1wxr h GLU 494 CO 0.47 0.00 0.09 0.66 0.07 0.00 0.00 179.01 180.30 1wxr h SER 495 N 0.00 0.42 -0.36 3.06 4.64 -1.96 -3.46 113.55 115.90 1wxr h SER 495 Ca 0.00 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 1wxr h SER 495 Cb 0.05 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 1wxr h SER 495 CO 0.00 0.43 -0.14 0.61 -0.87 0.00 0.00 176.83 176.85 1wxr n GLY 496 N -1.14 0.96 3.41 -0.77 0.00 -0.27 -4.95 105.19 102.43 1wxr n GLY 496 Ca 0.02 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1wxr n GLY 496 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wxr s LYS 497 N -2.47 2.86 0.39 1.61 1.02 -1.26 -0.40 119.74 121.49 1wxr s LYS 497 Ca 0.00 -0.72 -0.13 0.00 0.02 0.00 0.00 55.97 55.14 1wxr s LYS 497 Cb 0.00 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1wxr s LYS 497 CO 0.00 0.43 0.76 0.41 -0.92 0.00 0.00 175.35 176.03 1wxr n GLY 498 N 2.87 1.11 3.63 -3.33 0.00 -0.78 -4.92 105.19 103.77 1wxr n GLY 498 Ca -0.18 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 1wxr n GLY 498 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxr s THR 499 N -2.18 5.23 0.30 2.61 2.01 -1.26 -4.36 115.64 117.98 1wxr s THR 499 Ca 0.18 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 1wxr s THR 499 Cb -0.04 -3.44 -0.14 0.00 0.01 0.00 0.00 72.50 68.89 1wxr s THR 499 CO 0.13 0.34 1.05 0.00 -0.69 0.00 0.00 174.62 175.45 1wxr n ALA 500 N 4.37 -0.01 0.00 7.40 0.00 -1.25 -1.96 120.51 129.05 1wxr n ALA 500 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1wxr n ALA 500 Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1wxr n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wxr n GLY 501 N 1.16 2.92 3.73 0.00 0.00 0.86 -4.98 105.19 108.87 1wxr n GLY 501 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1wxr n GLY 501 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wxr n ASN 502 N 0.27 2.22 -4.81 1.61 5.03 -0.83 -4.70 115.26 114.05 1wxr n ASN 502 Ca 0.00 0.86 -0.37 0.00 0.87 0.00 0.00 54.58 55.94 1wxr n ASN 502 Cb 0.00 -1.56 -0.06 0.00 -1.02 0.00 0.00 39.78 37.13 1wxr n ASN 502 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1wxr s LEU 503 N -4.14 4.37 0.10 3.41 0.20 -1.26 -1.40 118.68 119.95 1wxr s LEU 503 Ca 0.80 0.69 0.09 0.00 0.69 0.00 0.00 54.13 56.40 1wxr s LEU 503 Cb -0.39 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 42.94 1wxr s LEU 503 CO 0.42 0.26 -0.21 -0.31 -0.29 0.00 0.00 176.35 176.22 1wxr s TYR 504 N -0.50 2.47 -0.19 5.38 1.51 0.79 -0.99 117.35 125.82 1wxr s TYR 504 Ca 0.19 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 1wxr s TYR 504 Cb -0.14 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1wxr s TYR 504 CO 0.08 0.32 -0.04 0.21 -1.11 0.00 0.00 175.55 175.01 1wxr s LYS 505 N -1.89 3.48 -0.23 -0.62 2.20 -0.90 -1.73 119.74 120.05 1wxr s LYS 505 Ca 0.16 -0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1wxr s LYS 505 Cb -0.10 -2.96 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1wxr s LYS 505 CO 0.07 -0.03 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.48 1wxr s TYR 506 N 1.06 3.00 -0.76 4.03 6.04 0.52 -4.66 117.35 126.59 1wxr s TYR 506 Ca 0.01 -1.50 -0.26 0.00 0.04 0.00 0.00 57.07 55.36 1wxr s TYR 506 Cb -0.15 -2.04 0.04 0.00 -1.04 0.00 0.00 41.96 38.78 1wxr s TYR 506 CO 0.00 -0.72 1.26 -0.80 -1.54 0.00 0.00 175.55 173.75 1wxr s ASN 507 N 1.34 6.20 -0.42 4.32 0.01 -1.26 -0.11 114.94 125.01 1wxr s ASN 507 Ca 0.02 -0.62 -0.24 0.00 -0.71 0.00 0.00 52.86 51.31 1wxr s ASN 507 Cb -0.16 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.98 1wxr s ASN 507 CO -0.06 -1.76 0.82 0.21 -1.51 0.00 0.00 177.10 174.80 1wxr s ASN 508 N 3.84 6.48 0.43 -1.22 3.84 0.21 -4.92 114.94 123.61 1wxr s ASN 508 Ca 0.34 0.10 0.26 0.00 0.21 0.00 0.00 52.86 53.77 1wxr s ASN 508 Cb -0.08 -2.40 0.65 0.00 -0.55 0.00 0.00 41.25 38.87 1wxr s ASN 508 CO 0.12 -0.88 1.72 1.55 -2.79 0.00 0.00 177.10 176.81 1wxr h PRO 509 N 8.83 0.00 0.01 0.43 0.13 -1.94 0.78 132.00 140.24 1wxr h PRO 509 Ca -0.25 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.66 1wxr h PRO 509 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1wxr h PRO 509 CO 0.96 0.00 -0.96 1.88 -0.23 0.00 0.00 178.00 179.65 1wxr h TYR 510 N 0.00 0.61 -0.00 1.56 -1.99 -1.91 -3.34 116.97 111.90 1wxr h TYR 510 Ca 0.00 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1wxr h TYR 510 Cb 0.83 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1wxr h TYR 510 CO 0.00 1.16 -0.02 0.25 -0.00 0.00 0.00 178.16 179.55 1wxr n THR 511 N -3.74 0.00 -3.53 -2.88 -2.24 -1.23 -5.01 114.28 95.65 1wxr n THR 511 Ca -0.07 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.02 1wxr n THR 511 Cb 0.84 1.08 0.08 0.00 -2.10 0.00 0.00 70.33 70.23 1wxr n THR 511 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wxr n ASN 512 N 0.08 -3.18 -4.46 3.42 4.05 0.25 -5.00 115.26 110.41 1wxr n ASN 512 Ca 0.02 -0.63 -0.23 0.00 0.45 0.00 0.00 54.58 54.19 1wxr n ASN 512 Cb 0.10 -4.90 -0.10 0.00 1.23 0.00 0.00 39.78 36.11 1wxr n ASN 512 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1wxr s THR 513 N -3.39 1.78 -0.27 -0.44 -4.23 -1.08 -4.97 115.64 103.05 1wxr s THR 513 Ca 0.19 -2.14 -0.10 0.00 -1.18 0.00 0.00 61.69 58.46 1wxr s THR 513 Cb -0.08 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1wxr s THR 513 CO 0.75 -0.25 0.16 -0.89 -0.54 0.00 0.00 174.62 173.84 1wxr s THR 514 N -2.91 5.07 -0.07 3.99 2.01 -1.26 -0.62 115.64 121.85 1wxr s THR 514 Ca 0.31 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.41 1wxr s THR 514 Cb 0.04 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1wxr s THR 514 CO 0.13 0.27 -0.10 -1.81 -0.69 0.00 0.00 174.62 172.43 1wxr s ASP 515 N 1.70 4.37 -0.15 3.53 -0.00 0.84 -4.25 116.67 122.71 1wxr s ASP 515 Ca 0.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 52.55 52.49 1wxr s ASP 515 Cb -0.16 -1.09 -0.01 0.00 -0.00 0.00 0.00 42.92 41.66 1wxr s ASP 515 CO 0.09 0.34 -0.11 -0.31 -0.00 0.00 0.00 175.17 175.18 1wxr s TYR 516 N -0.66 2.86 -0.00 4.23 1.51 -0.49 -0.35 117.35 124.44 1wxr s TYR 516 Ca 0.10 -0.67 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 1wxr s TYR 516 Cb -0.11 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1wxr s TYR 516 CO 0.01 -0.25 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.97 1wxr s PHE 517 N 0.54 1.54 -0.19 2.71 0.08 -0.70 0.07 117.98 122.04 1wxr s PHE 517 Ca -0.07 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 1wxr s PHE 517 Cb -0.15 -0.98 -0.05 0.00 -0.57 0.00 0.00 43.02 41.27 1wxr s PHE 517 CO 0.03 -0.01 0.16 0.42 -0.10 0.00 0.00 175.22 175.73 1wxr s ILE 518 N -0.48 5.39 0.10 0.64 1.01 0.38 -0.15 121.20 128.10 1wxr s ILE 518 Ca 0.06 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.66 1wxr s ILE 518 Cb -0.07 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.83 1wxr s ILE 518 CO -0.00 0.44 1.39 -0.22 0.00 0.00 0.00 174.94 176.55 1wxr s LEU 519 N 0.30 4.36 0.00 2.97 0.20 -0.49 -0.70 118.68 125.32 1wxr s LEU 519 Ca 0.10 2.30 0.20 0.00 0.69 0.00 0.00 54.13 57.42 1wxr s LEU 519 Cb -0.11 -3.58 0.15 0.00 -0.43 0.00 0.00 46.19 42.21 1wxr s LEU 519 CO -0.01 -0.66 1.13 0.29 -0.29 0.00 0.00 176.35 176.81 1wxr n LYS 520 N 4.13 1.79 -3.81 1.98 5.02 0.22 -0.10 118.16 127.39 1wxr n LYS 520 Ca 0.12 -1.64 -0.09 0.00 -2.02 0.00 0.00 58.31 54.68 1wxr n LYS 520 Cb 0.43 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 1wxr n LYS 520 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wxr s GLN 521 N -1.74 1.48 0.17 1.97 -0.21 -1.26 -4.87 119.66 115.19 1wxr s GLN 521 Ca 0.23 -0.97 0.25 0.00 0.02 0.00 0.00 55.36 54.90 1wxr s GLN 521 Cb 0.17 0.52 0.59 0.00 1.00 0.00 0.00 33.01 35.30 1wxr s GLN 521 CO 0.28 -0.63 1.56 -1.13 -2.12 0.00 0.00 175.29 173.25 1wxr n SER 522 N -0.37 0.76 -4.33 5.90 3.41 -1.26 -3.94 113.62 113.79 1wxr n SER 522 Ca -0.07 0.36 -0.18 0.00 -0.26 0.00 0.00 58.87 58.71 1wxr n SER 522 Cb 0.62 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1wxr n SER 522 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1wxr s THR 523 N -3.13 1.66 0.03 6.66 -4.23 -1.26 -1.86 115.64 113.50 1wxr s THR 523 Ca 0.09 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.27 1wxr s THR 523 Cb 0.13 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 72.06 1wxr s THR 523 CO 0.65 -0.56 0.46 -0.72 -0.54 0.00 0.00 174.62 173.91 1wxr s TYR 524 N -2.82 -0.35 0.00 3.99 -0.85 0.46 -4.94 117.35 112.84 1wxr s TYR 524 Ca 0.20 0.40 0.00 0.00 -0.52 0.00 0.00 57.07 57.15 1wxr s TYR 524 Cb -0.01 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.59 1wxr s TYR 524 CO 0.06 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 173.92 1wxr n GLY 525 N 0.60 2.00 3.77 5.49 0.00 -1.26 -4.52 105.19 111.26 1wxr n GLY 525 Ca -0.19 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 1wxr n GLY 525 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wxr s TYR 526 N 2.80 2.50 0.56 1.61 1.51 -1.26 -4.98 117.35 120.10 1wxr s TYR 526 Ca 0.00 1.28 -0.20 0.00 -1.01 0.00 0.00 57.07 57.14 1wxr s TYR 526 Cb 0.00 -3.89 -0.05 0.00 -0.11 0.00 0.00 41.96 37.90 1wxr s TYR 526 CO 0.00 -2.84 1.13 1.19 -1.11 0.00 0.00 175.55 173.92 1wxr n PHE 527 N -0.16 1.47 -0.88 2.71 3.72 -1.26 -5.00 117.46 118.07 1wxr n PHE 527 Ca 0.05 0.45 -0.33 0.00 -0.05 0.00 0.00 57.45 57.57 1wxr n PHE 527 Cb 0.42 -2.24 0.13 0.00 -0.94 0.00 0.00 39.48 36.85 1wxr n PHE 527 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1wxr n PRO 528 N -0.91 -0.17 0.00 -1.08 -0.02 -1.26 -4.96 135.00 126.60 1wxr n PRO 528 Ca 0.12 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1wxr n PRO 528 Cb 0.45 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1wxr n PRO 528 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1wxr n THR 529 N -3.59 0.00 -1.57 3.45 5.66 -1.26 -4.56 114.28 112.41 1wxr n THR 529 Ca 0.10 -0.40 0.06 0.00 -3.05 0.00 0.00 64.05 60.76 1wxr n THR 529 Cb 0.52 0.95 0.20 0.00 -1.55 0.00 0.00 70.33 70.46 1wxr n THR 529 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1wxr n ASP 530 N -0.91 1.75 -2.25 1.09 5.75 -1.26 -4.68 116.55 116.04 1wxr n ASP 530 Ca 0.00 -3.80 -0.19 0.00 -0.01 0.00 0.00 54.79 50.79 1wxr n ASP 530 Cb 0.00 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.55 1wxr n ASP 530 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wxr n GLN 531 N -1.11 -1.76 -2.92 0.11 3.00 -1.26 -4.99 117.38 108.46 1wxr n GLN 531 Ca 0.18 0.93 -0.22 0.00 -0.01 0.00 0.00 57.00 57.89 1wxr n GLN 531 Cb 0.69 -5.53 0.02 0.00 0.00 0.00 0.00 30.24 25.42 1wxr n GLN 531 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1wxr s SER 532 N -2.14 5.67 0.27 1.08 1.04 -1.26 -4.88 113.70 113.48 1wxr s SER 532 Ca 0.00 0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.66 1wxr s SER 532 Cb 0.00 -1.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1wxr s SER 532 CO 0.00 -0.82 0.02 -0.44 0.98 0.00 0.00 173.24 172.98 1wxr s SER 533 N -4.28 4.62 0.12 7.02 0.01 -1.26 -4.39 113.70 115.54 1wxr s SER 533 Ca 0.51 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 57.12 1wxr s SER 533 Cb -0.10 -0.87 0.01 0.00 0.21 0.00 0.00 66.02 65.26 1wxr s SER 533 CO 0.37 -0.03 0.20 -0.46 0.41 0.00 0.00 173.24 173.74 1wxr n ASN 534 N -0.94 -0.57 0.30 2.44 0.23 -0.40 -5.01 115.26 111.32 1wxr n ASN 534 Ca -0.06 -1.62 0.18 0.00 -0.53 0.00 0.00 54.58 52.55 1wxr n ASN 534 Cb 0.59 1.01 0.92 0.00 -2.08 0.00 0.00 39.78 40.22 1wxr n ASN 534 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wxr h ALA 535 N 1.75 1.13 0.00 -2.53 0.00 -2.01 -3.06 119.26 114.54 1wxr h ALA 535 Ca -0.10 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 1wxr h ALA 535 Cb 0.41 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1wxr h ALA 535 CO 0.13 0.05 -2.29 -2.37 0.00 0.00 0.00 179.25 174.77 1wxr n THR 536 N -3.32 1.20 -3.93 0.00 5.66 -1.26 -4.65 114.28 107.98 1wxr n THR 536 Ca -0.02 -0.79 -0.28 0.00 -3.05 0.00 0.00 64.05 59.91 1wxr n THR 536 Cb 0.18 -0.44 -0.17 0.00 -1.55 0.00 0.00 70.33 68.35 1wxr n THR 536 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wxr s TRP 537 N -2.55 1.76 -0.28 1.09 0.52 -1.16 -0.61 118.94 117.72 1wxr s TRP 537 Ca -0.09 -1.01 -0.12 0.00 0.02 0.00 0.00 56.10 54.89 1wxr s TRP 537 Cb 0.06 -1.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 1wxr s TRP 537 CO 0.79 -0.60 0.25 -2.00 0.02 0.00 0.00 176.95 175.42 1wxr s GLU 538 N 1.62 3.93 -0.06 4.98 2.12 0.12 -1.28 118.70 130.13 1wxr s GLU 538 Ca 0.03 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 1wxr s GLU 538 Cb -0.14 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.56 1wxr s GLU 538 CO -0.09 -0.23 1.01 0.12 -0.54 0.00 0.00 175.26 175.53 1wxr s PHE 539 N 1.85 3.56 -0.14 5.30 2.19 -1.26 -0.47 117.98 129.01 1wxr s PHE 539 Ca 0.09 1.62 0.15 0.00 0.33 0.00 0.00 56.93 59.12 1wxr s PHE 539 Cb -0.16 -3.17 0.37 0.00 -1.31 0.00 0.00 43.02 38.75 1wxr s PHE 539 CO 0.11 -0.19 1.18 1.33 1.83 0.00 0.00 175.22 179.48 1wxr n VAL 540 N 4.27 1.52 0.00 3.12 0.24 0.11 -4.96 118.33 122.63 1wxr n VAL 540 Ca 0.08 -2.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 1wxr n VAL 540 Cb 0.50 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1wxr n VAL 540 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wxr n GLY 541 N -0.74 -3.10 0.54 7.63 0.00 -1.25 -4.48 105.19 103.80 1wxr n GLY 541 Ca 0.14 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1wxr n GLY 541 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wxr n HIS 542 N -0.20 0.17 -3.45 1.61 8.25 -1.26 -1.39 115.22 118.95 1wxr n HIS 542 Ca 0.00 -0.18 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 1wxr n HIS 542 Cb 0.00 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.00 1wxr n HIS 542 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wxr s SER 543 N -0.99 6.13 0.17 0.41 0.15 -1.26 -4.86 113.70 113.45 1wxr s SER 543 Ca 0.17 -0.45 -0.15 0.00 0.70 0.00 0.00 55.95 56.23 1wxr s SER 543 Cb 0.11 -2.17 0.08 0.00 -1.71 0.00 0.00 66.02 62.33 1wxr s SER 543 CO 0.15 -0.34 1.80 -0.61 1.20 0.00 0.00 173.24 175.44 1wxr h GLN 544 N 8.53 0.50 -0.03 5.44 4.15 -1.96 -2.19 115.11 129.55 1wxr h GLN 544 Ca -0.30 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.11 1wxr h GLN 544 Cb 1.14 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1wxr h GLN 544 CO 0.69 0.33 -0.09 0.78 -1.93 0.00 0.00 178.83 178.61 1wxr h GLY 545 N 0.52 -0.08 1.14 2.39 0.00 -1.98 -0.62 103.07 104.44 1wxr h GLY 545 Ca 0.19 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 1wxr h GLY 545 CO -0.10 -0.10 0.28 -0.55 0.00 0.00 0.00 176.54 176.07 1wxr h ASP 546 N -0.15 1.01 -0.39 0.19 3.32 -1.93 -1.77 116.42 116.70 1wxr h ASP 546 Ca 0.04 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1wxr h ASP 546 Cb 0.20 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1wxr h ASP 546 CO -0.11 0.90 0.12 0.00 -1.72 0.00 0.00 179.24 178.43 1wxr h ALA 547 N 1.24 0.51 -0.49 3.45 0.00 -1.15 -2.01 119.26 120.82 1wxr h ALA 547 Ca 0.25 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1wxr h ALA 547 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wxr h ALA 547 CO -0.02 0.16 -0.06 1.96 0.00 0.00 0.00 179.25 181.29 1wxr h GLN 548 N 0.49 0.86 -0.47 0.00 4.20 -0.96 -2.40 115.11 116.82 1wxr h GLN 548 Ca 0.13 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1wxr h GLN 548 Cb 0.27 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1wxr h GLN 548 CO -0.00 0.90 0.23 -0.22 -0.67 0.00 0.00 178.83 179.06 1wxr h LYS 549 N 0.78 0.68 -0.32 1.46 3.64 -1.17 0.33 116.57 121.99 1wxr h LYS 549 Ca 0.14 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1wxr h LYS 549 Cb 0.56 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 1wxr h LYS 549 CO 0.03 0.57 0.10 1.25 -2.27 0.00 0.00 179.45 179.13 1wxr h LEU 550 N 0.62 0.09 -0.54 5.20 6.46 -1.27 0.17 115.31 126.04 1wxr h LEU 550 Ca 0.16 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1wxr h LEU 550 Cb 0.12 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1wxr h LEU 550 CO -0.02 0.09 0.25 0.58 -0.62 0.00 0.00 178.44 178.71 1wxr h VAL 551 N 0.23 1.21 -0.12 1.05 2.07 -1.00 -1.23 116.25 118.45 1wxr h VAL 551 Ca 0.14 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1wxr h VAL 551 Cb 0.13 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1wxr h VAL 551 CO -0.16 0.23 0.05 0.00 0.02 0.00 0.00 177.57 177.71 1wxr h ALA 552 N 1.09 0.15 -0.24 1.67 0.00 -0.53 -1.49 119.26 119.91 1wxr h ALA 552 Ca 0.18 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1wxr h ALA 552 Cb 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1wxr h ALA 552 CO -0.02 -0.26 -0.07 -0.44 0.00 0.00 0.00 179.25 178.46 1wxr h ASP 553 N 0.03 -0.24 -0.28 0.00 3.32 -0.56 -0.75 116.42 117.93 1wxr h ASP 553 Ca 0.04 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1wxr h ASP 553 Cb 0.17 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1wxr h ASP 553 CO -0.00 -0.09 0.15 0.03 -1.72 0.00 0.00 179.24 177.61 1wxr h ARG 554 N -0.01 0.40 -0.43 3.56 3.08 -1.18 -3.00 114.38 116.80 1wxr h ARG 554 Ca 0.12 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.20 1wxr h ARG 554 Cb 0.19 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 1wxr h ARG 554 CO -0.25 0.36 -0.02 0.35 -1.07 0.00 0.00 179.97 179.34 1wxr h PHE 555 N 0.33 -0.06 0.00 3.04 3.04 -0.78 -2.77 116.94 119.74 1wxr h PHE 555 Ca 0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1wxr h PHE 555 Cb 0.08 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1wxr h PHE 555 CO -0.03 -0.10 0.00 0.09 -2.02 0.00 0.00 178.31 176.25 1wxr n ASN 556 N -5.22 0.00 0.19 0.41 3.02 -0.33 -2.48 115.26 110.84 1wxr n ASN 556 Ca 0.03 -0.51 0.08 0.00 -0.03 0.00 0.00 54.58 54.15 1wxr n ASN 556 Cb 0.23 -0.06 0.18 0.00 -0.61 0.00 0.00 39.78 39.52 1wxr n ASN 556 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1wxr h THR 557 N 0.00 0.45 -0.09 3.41 1.35 -1.36 -1.89 112.91 114.78 1wxr h THR 557 Ca 0.00 -1.51 -0.07 0.00 -0.55 0.00 0.00 66.41 64.28 1wxr h THR 557 Cb 0.04 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1wxr h THR 557 CO 0.00 0.24 -0.25 0.00 -0.25 0.00 0.00 175.52 175.27 1wxr h ALA 558 N 1.75 1.42 -0.21 6.62 0.00 -1.66 -3.34 119.26 123.85 1wxr h ALA 558 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1wxr h ALA 558 Cb 1.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1wxr h ALA 558 CO 0.03 0.41 -0.03 0.41 0.00 0.00 0.00 179.25 180.08 1wxr n GLY 559 N -0.65 -2.18 3.02 0.00 0.00 -1.25 -4.65 105.19 99.48 1wxr n GLY 559 Ca -0.01 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1wxr n GLY 559 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wxr s TYR 560 N -0.78 0.43 -0.04 1.61 5.04 0.23 -4.88 117.35 118.96 1wxr s TYR 560 Ca 0.00 -0.60 0.05 0.00 -2.44 0.00 0.00 57.07 54.08 1wxr s TYR 560 Cb 0.00 -0.29 -0.01 0.00 0.35 0.00 0.00 41.96 42.02 1wxr s TYR 560 CO 0.00 -0.18 -0.19 -1.17 -1.34 0.00 0.00 175.55 172.67 1wxr s LEU 561 N -1.73 1.96 -0.13 6.97 0.20 -1.26 0.12 118.68 124.81 1wxr s LEU 561 Ca -0.10 -0.38 -0.00 0.00 0.69 0.00 0.00 54.13 54.33 1wxr s LEU 561 Cb -0.07 -1.06 0.03 0.00 -0.43 0.00 0.00 46.19 44.66 1wxr s LEU 561 CO -0.02 0.18 -0.10 0.12 -0.29 0.00 0.00 176.35 176.25 1wxr s PHE 562 N -0.07 1.73 -0.85 5.38 5.36 -0.33 -4.95 117.98 124.25 1wxr s PHE 562 Ca -0.02 -0.92 0.25 0.00 -0.96 0.00 0.00 56.93 55.27 1wxr s PHE 562 Cb -0.11 -1.36 0.51 0.00 -0.34 0.00 0.00 43.02 41.72 1wxr s PHE 562 CO 0.02 -0.57 1.42 0.72 -1.46 0.00 0.00 175.22 175.35 1wxr n HIS 563 N 4.88 0.24 -0.97 10.12 8.25 -1.26 -2.99 115.22 133.50 1wxr n HIS 563 Ca -0.14 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1wxr n HIS 563 Cb 0.50 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1wxr n HIS 563 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wxr n GLY 564 N 1.43 1.16 3.18 -1.41 0.00 -1.26 -3.39 105.19 104.90 1wxr n GLY 564 Ca 0.05 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 1wxr n GLY 564 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxr s GLN 565 N 2.11 1.36 -0.23 1.61 -0.21 0.56 -2.23 119.66 122.62 1wxr s GLN 565 Ca 0.00 -0.71 -0.07 0.00 0.02 0.00 0.00 55.36 54.60 1wxr s GLN 565 Cb 0.00 -1.35 -0.03 0.00 1.00 0.00 0.00 33.01 32.63 1wxr s GLN 565 CO 0.00 0.36 0.07 -0.51 -2.12 0.00 0.00 175.29 173.09 1wxr s LEU 566 N -0.66 3.51 0.03 2.90 1.43 -0.81 -0.81 118.68 124.27 1wxr s LEU 566 Ca 0.06 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1wxr s LEU 566 Cb -0.07 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1wxr s LEU 566 CO 0.00 0.01 -0.16 -0.54 0.23 0.00 0.00 176.35 175.90 1wxr s LYS 567 N 1.34 1.07 2.36 1.70 1.02 -0.14 -1.05 119.74 126.03 1wxr s LYS 567 Ca 0.05 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1wxr s LYS 567 Cb -0.15 -1.10 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 1wxr s LYS 567 CO 0.03 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 1wxr n GLY 568 N 1.99 0.48 2.92 -3.33 0.00 -0.43 -1.55 105.19 105.26 1wxr n GLY 568 Ca -0.17 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 1wxr n GLY 568 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wxr n ASN 569 N 2.15 5.47 -4.13 1.61 5.15 0.15 -1.15 115.26 124.51 1wxr n ASN 569 Ca 0.00 -3.19 -0.22 0.00 -0.60 0.00 0.00 54.58 50.57 1wxr n ASN 569 Cb 0.00 -1.42 -0.15 0.00 -0.53 0.00 0.00 39.78 37.68 1wxr n ASN 569 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wxr s LEU 570 N -0.87 2.07 0.26 1.20 1.43 -1.26 -2.63 118.68 118.88 1wxr s LEU 570 Ca 0.37 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1wxr s LEU 570 Cb 0.08 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 1wxr s LEU 570 CO 0.03 0.14 0.43 0.20 0.23 0.00 0.00 176.35 177.38 1wxr s ASN 571 N -0.60 6.33 -0.05 2.29 0.01 -0.23 -1.87 114.94 120.82 1wxr s ASN 571 Ca 0.05 0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 1wxr s ASN 571 Cb -0.06 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.66 1wxr s ASN 571 CO 0.00 -0.13 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.75 1wxr s VAL 572 N -2.04 0.39 -0.14 1.60 1.01 0.36 -0.90 120.40 120.68 1wxr s VAL 572 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1wxr s VAL 572 Cb -0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1wxr s VAL 572 CO 0.31 0.21 -0.14 -1.81 0.00 0.00 0.00 175.10 173.67 1wxr s ASP 573 N 1.19 3.87 -0.54 3.32 -0.00 0.06 -0.32 116.67 124.26 1wxr s ASP 573 Ca -0.07 -0.38 0.05 0.00 -0.00 0.00 0.00 52.55 52.15 1wxr s ASP 573 Cb -0.14 -1.59 0.18 0.00 -0.00 0.00 0.00 42.92 41.37 1wxr s ASP 573 CO -0.02 0.14 0.44 -3.20 -0.00 0.00 0.00 175.17 172.53 1wxr n ASN 574 N 3.72 1.18 -4.35 0.27 5.15 0.16 -0.61 115.26 120.78 1wxr n ASN 574 Ca -0.18 -2.79 -0.45 0.00 -0.60 0.00 0.00 54.58 50.56 1wxr n ASN 574 Cb 0.52 -0.65 -0.05 0.00 -0.53 0.00 0.00 39.78 39.08 1wxr n ASN 574 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1wxr s ARG 575 N -0.78 3.04 0.46 1.20 0.52 -1.26 -2.06 118.95 120.06 1wxr s ARG 575 Ca 0.30 -1.48 -0.16 0.00 -0.52 0.00 0.00 55.73 53.88 1wxr s ARG 575 Cb 0.02 -4.29 -0.08 0.00 0.52 0.00 0.00 34.95 31.12 1wxr s ARG 575 CO -0.17 -1.47 0.91 -0.51 0.02 0.00 0.00 175.30 174.08 1wxr s LEU 576 N 2.28 3.78 0.57 2.53 1.43 -0.59 -4.95 118.68 123.73 1wxr s LEU 576 Ca 0.09 1.48 -0.21 0.00 -1.03 0.00 0.00 54.13 54.46 1wxr s LEU 576 Cb -0.26 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 1wxr s LEU 576 CO 0.05 -0.46 1.35 -2.84 0.23 0.00 0.00 176.35 174.68 1wxr s PRO 577 N -3.73 2.99 0.26 1.29 0.02 -1.26 -4.64 135.00 129.93 1wxr s PRO 577 Ca 0.58 2.22 -0.31 0.00 0.02 0.00 0.00 61.00 63.51 1wxr s PRO 577 Cb -0.10 -2.16 -0.13 0.00 0.02 0.00 0.00 34.50 32.13 1wxr s PRO 577 CO 0.26 -1.30 1.47 0.39 -0.33 0.00 0.00 177.00 177.49 1wxr n GLU 578 N -1.24 2.27 -0.11 5.54 1.02 -1.26 -2.65 120.64 124.22 1wxr n GLU 578 Ca 0.12 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 1wxr n GLU 578 Cb 0.46 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1wxr n GLU 578 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wxr n GLY 579 N 2.11 0.53 3.69 0.62 0.00 -1.26 -5.05 105.19 105.83 1wxr n GLY 579 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1wxr n GLY 579 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wxr s VAL 580 N -2.24 4.47 -0.49 1.61 1.01 -1.08 -4.87 120.40 118.81 1wxr s VAL 580 Ca 0.00 1.77 0.16 0.00 0.00 0.00 0.00 61.98 63.91 1wxr s VAL 580 Cb 0.00 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 32.04 1wxr s VAL 580 CO 0.00 0.00 0.56 0.35 0.00 0.00 0.00 175.10 176.02 1wxr n THR 581 N 4.57 0.00 -1.61 3.92 -2.24 -1.24 -3.08 114.28 114.60 1wxr n THR 581 Ca 0.10 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 1wxr n THR 581 Cb 0.47 0.69 0.08 0.00 -2.10 0.00 0.00 70.33 69.47 1wxr n THR 581 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wxr s GLY 582 N -2.99 1.62 -0.15 3.38 0.00 -0.71 -4.25 107.32 104.22 1wxr s GLY 582 Ca 0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.40 1wxr s GLY 582 CO 0.66 0.18 0.18 0.00 0.00 0.00 0.00 173.10 174.12 1wxr s ALA 583 N -3.20 3.75 0.01 3.20 0.00 -1.26 -1.55 121.76 122.72 1wxr s ALA 583 Ca 0.60 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 1wxr s ALA 583 Cb -0.14 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.79 1wxr s ALA 583 CO 0.54 0.36 1.39 -1.17 0.00 0.00 0.00 175.76 176.87 1wxr s LEU 584 N -0.30 4.32 -0.14 0.00 0.20 0.44 0.75 118.68 123.96 1wxr s LEU 584 Ca 0.13 2.12 0.01 0.00 0.69 0.00 0.00 54.13 57.08 1wxr s LEU 584 Cb -0.12 -3.56 -0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1wxr s LEU 584 CO 0.02 -0.70 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.52 1wxr s VAL 585 N 2.23 2.56 -0.22 1.68 1.01 0.32 -1.32 120.40 126.65 1wxr s VAL 585 Ca 0.63 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1wxr s VAL 585 Cb -0.32 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.06 1wxr s VAL 585 CO 0.27 0.53 -0.11 -0.04 0.00 0.00 0.00 175.10 175.75 1wxr s MET 586 N 0.63 2.16 -0.04 2.72 -1.94 -0.47 -1.19 119.30 121.17 1wxr s MET 586 Ca -0.09 -1.03 0.09 0.00 -1.71 0.00 0.00 55.69 52.94 1wxr s MET 586 Cb -0.16 -2.62 0.23 0.00 2.01 0.00 0.00 34.83 34.28 1wxr s MET 586 CO 0.03 -0.47 1.17 -0.40 -0.01 0.00 0.00 175.02 175.33 1wxr n ASP 587 N 4.59 2.65 0.00 3.03 5.68 -1.16 -1.84 116.55 129.50 1wxr n ASP 587 Ca -0.15 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 1wxr n ASP 587 Cb 0.45 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1wxr n ASP 587 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wxr n GLY 588 N -0.26 0.72 3.34 6.12 0.00 -1.22 -4.29 105.19 109.59 1wxr n GLY 588 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1wxr n GLY 588 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr s ALA 589 N -3.58 -1.07 -0.01 4.61 0.00 -0.95 -4.59 121.76 116.18 1wxr s ALA 589 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1wxr s ALA 589 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1wxr s ALA 589 CO 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 175.76 175.08 1wxr s ALA 590 N -3.72 0.23 -0.36 0.00 0.00 -0.86 -1.93 121.76 115.12 1wxr s ALA 590 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1wxr s ALA 590 Cb 0.01 -0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.19 1wxr s ALA 590 CO -0.12 0.04 0.31 0.34 0.00 0.00 0.00 175.76 176.33 1wxr s ASP 591 N 0.06 1.86 0.15 0.00 3.68 -0.22 0.51 116.67 122.71 1wxr s ASP 591 Ca -0.00 -1.71 0.09 0.00 2.13 0.00 0.00 52.55 53.06 1wxr s ASP 591 Cb -0.02 0.22 -0.04 0.00 -1.45 0.00 0.00 42.92 41.63 1wxr s ASP 591 CO -0.00 -0.29 -0.21 0.27 0.13 0.00 0.00 175.17 175.07 1wxr s ILE 592 N 1.40 1.93 -0.85 4.11 -4.36 -0.37 -1.31 121.20 121.75 1wxr s ILE 592 Ca 0.16 -1.82 0.25 0.00 -0.26 0.00 0.00 60.65 58.98 1wxr s ILE 592 Cb -0.18 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.71 1wxr s ILE 592 CO -0.05 -0.17 1.34 -1.54 0.24 0.00 0.00 174.94 174.76 1wxr n SER 593 N 0.56 0.57 0.00 4.36 3.41 -0.30 -3.24 113.62 118.98 1wxr n SER 593 Ca -0.15 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1wxr n SER 593 Cb 0.55 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1wxr n SER 593 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxr n GLY 594 N 1.44 2.73 3.64 5.00 0.00 -0.78 -4.23 105.19 112.98 1wxr n GLY 594 Ca 0.04 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 1wxr n GLY 594 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wxr s THR 595 N 2.70 4.00 -0.29 2.61 -1.32 -1.25 -1.55 115.64 120.54 1wxr s THR 595 Ca 0.00 -0.46 -0.12 0.00 -1.21 0.00 0.00 61.69 59.90 1wxr s THR 595 Cb 0.00 -2.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 1wxr s THR 595 CO 0.00 0.53 0.22 0.12 -2.21 0.00 0.00 174.62 173.27 1wxr s PHE 596 N -0.92 3.22 -0.17 9.09 5.36 -0.18 -0.48 117.98 133.90 1wxr s PHE 596 Ca 0.15 0.11 0.01 0.00 -0.96 0.00 0.00 56.93 56.23 1wxr s PHE 596 Cb -0.11 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 1wxr s PHE 596 CO 0.04 -0.19 -0.17 0.99 -1.46 0.00 0.00 175.22 174.43 1wxr s THR 597 N 1.79 2.38 0.02 0.12 2.01 0.57 0.01 115.64 122.54 1wxr s THR 597 Ca 0.08 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1wxr s THR 597 Cb -0.16 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 1wxr s THR 597 CO 0.11 0.52 -0.25 -1.10 -0.69 0.00 0.00 174.62 173.21 1wxr s GLN 598 N 1.07 1.83 -0.04 4.92 -1.52 0.21 0.39 119.66 126.52 1wxr s GLN 598 Ca -0.01 -1.00 -0.02 0.00 -1.95 0.00 0.00 55.36 52.38 1wxr s GLN 598 Cb -0.14 -1.91 0.03 0.00 -0.22 0.00 0.00 33.01 30.77 1wxr s GLN 598 CO -0.06 0.50 0.09 -2.00 -0.25 0.00 0.00 175.29 173.58 1wxr s GLU 599 N -0.97 0.04 0.33 2.91 2.12 -0.87 -1.80 118.70 120.44 1wxr s GLU 599 Ca 0.10 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.70 1wxr s GLU 599 Cb -0.10 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.12 1wxr s GLU 599 CO 0.01 -0.15 0.00 0.09 -0.54 0.00 0.00 175.26 174.67 1wxr n ASN 600 N 4.05 -8.34 0.00 -1.70 3.02 0.13 -1.54 115.26 110.88 1wxr n ASN 600 Ca -0.25 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1wxr n ASN 600 Cb 0.52 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 1wxr n ASN 600 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxr n GLY 601 N -4.14 0.39 3.30 7.41 0.00 -1.18 -4.58 105.19 106.40 1wxr n GLY 601 Ca 0.01 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 1wxr n GLY 601 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxr s ARG 602 N 0.00 1.17 -0.05 1.61 0.52 -0.59 -2.34 118.95 119.27 1wxr s ARG 602 Ca 0.00 -1.25 0.01 0.00 -0.52 0.00 0.00 55.73 53.97 1wxr s ARG 602 Cb 0.00 -1.33 0.02 0.00 0.52 0.00 0.00 34.95 34.16 1wxr s ARG 602 CO 0.00 0.29 -0.05 -1.17 0.02 0.00 0.00 175.30 174.39 1wxr s LEU 603 N -2.21 1.35 -0.09 2.53 2.96 -0.89 -0.42 118.68 121.91 1wxr s LEU 603 Ca 0.10 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1wxr s LEU 603 Cb -0.08 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.14 1wxr s LEU 603 CO 0.05 -0.05 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.05 1wxr s THR 604 N 0.91 1.05 -0.16 3.68 2.01 -0.43 -0.17 115.64 122.54 1wxr s THR 604 Ca -0.11 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1wxr s THR 604 Cb -0.14 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1wxr s THR 604 CO 0.00 0.36 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.52 1wxr s LEU 605 N 1.32 3.40 0.22 4.42 1.43 0.13 -1.37 118.68 128.23 1wxr s LEU 605 Ca -0.02 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1wxr s LEU 605 Cb -0.14 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1wxr s LEU 605 CO -0.04 0.19 0.45 0.00 0.23 0.00 0.00 176.35 177.18 1wxr s GLN 606 N 0.26 1.44 1.16 1.70 -2.07 -0.77 -0.48 119.66 120.90 1wxr s GLN 606 Ca -0.01 -1.15 -0.19 0.00 -1.82 0.00 0.00 55.36 52.19 1wxr s GLN 606 Cb -0.14 0.47 0.28 0.00 -1.09 0.00 0.00 33.01 32.53 1wxr s GLN 606 CO 0.02 -0.59 1.19 0.20 -1.32 0.00 0.00 175.29 174.79 1wxr s GLY 607 N -2.97 1.66 -0.12 2.60 0.00 -0.08 -4.33 107.32 104.08 1wxr s GLY 607 Ca 0.18 -1.14 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 1wxr s GLY 607 CO 0.05 -0.24 -0.09 -1.58 0.00 0.00 0.00 173.10 171.24 1wxr s HIS 608 N -3.32 1.57 0.29 1.90 2.46 -0.71 -4.82 115.29 112.66 1wxr s HIS 608 Ca 0.73 -0.79 -0.30 0.00 0.47 0.00 0.00 55.06 55.18 1wxr s HIS 608 Cb -0.06 -1.27 -0.11 0.00 -0.13 0.00 0.00 32.58 31.01 1wxr s HIS 608 CO 0.55 -0.52 1.52 -1.25 -2.47 0.00 0.00 174.74 172.56 1wxr s PRO 609 N 1.63 4.18 0.33 2.88 0.04 -1.26 0.50 135.00 143.30 1wxr s PRO 609 Ca 0.04 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 1wxr s PRO 609 Cb -0.13 -3.05 -0.12 0.00 0.04 0.00 0.00 34.50 31.25 1wxr s PRO 609 CO -0.08 -0.53 1.50 0.28 0.04 0.00 0.00 177.00 178.21 1wxr n VAL 610 N 2.00 1.53 -2.76 -0.36 0.31 0.09 -4.81 118.33 114.33 1wxr n VAL 610 Ca 0.07 -0.38 -0.40 0.00 -0.01 0.00 0.00 64.34 63.61 1wxr n VAL 610 Cb 0.39 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 1wxr n VAL 610 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1wxr s ILE 611 N -0.59 4.30 0.21 2.52 1.01 -1.26 -4.68 121.20 122.71 1wxr s ILE 611 Ca 0.59 2.05 0.09 0.00 0.00 0.00 0.00 60.65 63.38 1wxr s ILE 611 Cb -0.51 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 37.60 1wxr s ILE 611 CO 0.56 0.42 -0.17 -1.00 0.00 0.00 0.00 174.94 174.75 1wxr s HIS 612 N -0.61 1.87 0.61 3.97 3.76 -0.47 -2.61 115.29 121.81 1wxr s HIS 612 Ca 0.43 -0.49 -0.18 0.00 -0.15 0.00 0.00 55.06 54.67 1wxr s HIS 612 Cb -0.24 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.56 1wxr s HIS 612 CO 0.30 0.44 1.18 0.00 -0.85 0.00 0.00 174.74 175.82 1wxr s ALA 613 N -2.67 2.50 0.26 -1.40 0.00 -1.26 -4.41 121.76 114.76 1wxr s ALA 613 Ca 0.23 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 1wxr s ALA 613 Cb -0.03 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1wxr s ALA 613 CO 0.09 -1.22 0.30 1.52 0.00 0.00 0.00 175.76 176.45 1wxr s TYR 614 N -1.77 1.02 0.23 0.00 1.13 -1.26 -4.55 117.35 112.15 1wxr s TYR 614 Ca 0.75 -1.24 -0.01 0.00 -1.41 0.00 0.00 57.07 55.17 1wxr s TYR 614 Cb -0.28 -0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.25 1wxr s TYR 614 CO 0.35 -0.86 0.20 -0.80 -2.51 0.00 0.00 175.55 171.93 1wxr s ASN 615 N -3.17 0.44 0.81 -0.18 -0.87 -0.61 -4.99 114.94 106.37 1wxr s ASN 615 Ca 0.33 -1.42 -0.12 0.00 -1.57 0.00 0.00 52.86 50.08 1wxr s ASN 615 Cb 0.03 0.44 0.08 0.00 -0.02 0.00 0.00 41.25 41.78 1wxr s ASN 615 CO 0.15 -0.92 1.15 0.42 -2.57 0.00 0.00 177.10 175.33 1wxr s THR 616 N -3.98 2.50 0.27 1.60 -4.23 -1.26 -4.38 115.64 106.16 1wxr s THR 616 Ca 0.38 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1wxr s THR 616 Cb 0.05 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.63 1wxr s THR 616 CO 0.15 -0.18 1.82 -0.61 -0.54 0.00 0.00 174.62 175.25 1wxr h GLN 617 N -1.07 0.86 -0.93 3.99 5.75 -1.93 -0.89 115.11 120.89 1wxr h GLN 617 Ca -0.45 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1wxr h GLN 617 Cb 1.27 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 29.57 1wxr h GLN 617 CO 0.47 0.57 0.61 0.77 -2.65 0.00 0.00 178.83 178.60 1wxr h SER 618 N 0.88 1.03 0.97 -0.69 0.02 -1.98 0.26 113.55 114.04 1wxr h SER 618 Ca 0.48 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 61.20 1wxr h SER 618 Cb 0.52 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1wxr h SER 618 CO -0.28 0.73 -1.07 1.62 -1.14 0.00 0.00 176.83 176.69 1wxr h VAL 619 N 1.21 1.42 -0.58 2.27 3.04 -1.77 0.65 116.25 122.49 1wxr h VAL 619 Ca 0.36 -3.09 -0.01 0.00 -1.01 0.00 0.00 66.70 62.94 1wxr h VAL 619 Cb -0.06 2.69 -0.03 0.00 -2.01 0.00 0.00 31.29 31.88 1wxr h VAL 619 CO -0.10 0.81 0.32 0.00 -1.01 0.00 0.00 177.57 177.59 1wxr h ALA 620 N 1.08 0.75 -0.24 3.17 0.00 -0.84 -2.24 119.26 120.94 1wxr h ALA 620 Ca -0.06 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1wxr h ALA 620 Cb 1.75 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1wxr h ALA 620 CO 0.11 0.26 0.15 -0.44 0.00 0.00 0.00 179.25 179.33 1wxr h ASP 621 N 0.79 0.25 -0.89 0.00 3.45 -0.34 -1.50 116.42 118.18 1wxr h ASP 621 Ca 0.20 -0.00 0.17 0.00 0.43 0.00 0.00 57.03 57.83 1wxr h ASP 621 Cb 0.05 -0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 38.69 1wxr h ASP 621 CO -0.03 0.18 0.58 0.11 -1.57 0.00 0.00 179.24 178.50 1wxr h LYS 622 N 0.30 0.54 0.18 3.56 1.57 -0.69 0.07 116.57 122.11 1wxr h LYS 622 Ca 0.09 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.50 1wxr h LYS 622 Cb -0.02 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.18 1wxr h LYS 622 CO -0.03 0.36 -1.68 -0.07 -0.57 0.00 0.00 179.45 177.46 1wxr h LEU 623 N 0.56 0.59 -0.76 2.94 4.07 -1.00 -3.21 115.31 118.49 1wxr h LEU 623 Ca 0.46 -0.84 0.06 0.00 0.08 0.00 0.00 57.88 57.64 1wxr h LEU 623 Cb 0.92 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 42.41 1wxr h LEU 623 CO -0.20 1.70 0.45 0.00 -1.08 0.00 0.00 178.44 179.31 1wxr h ALA 624 N 0.21 1.04 -0.65 1.53 0.00 -0.40 -1.05 119.26 119.94 1wxr h ALA 624 Ca -0.31 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.77 1wxr h ALA 624 Cb 2.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 1wxr h ALA 624 CO 0.18 0.17 0.46 0.00 0.00 0.00 0.00 179.25 180.06 1wxr h ALA 625 N 1.37 2.47 -0.18 0.00 0.00 -1.04 1.39 119.26 123.28 1wxr h ALA 625 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wxr h ALA 625 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wxr h ALA 625 CO -0.17 -0.66 0.00 -1.13 0.00 0.00 0.00 179.25 177.29 1wxr n SER 626 N -4.38 1.33 0.00 0.00 3.41 -0.58 -4.92 113.62 108.48 1wxr n SER 626 Ca 0.12 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1wxr n SER 626 Cb 0.65 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1wxr n SER 626 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxr n GLY 627 N 1.01 0.82 3.43 5.00 0.00 0.48 -5.04 105.19 110.88 1wxr n GLY 627 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1wxr n GLY 627 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wxr s ASP 628 N -2.99 6.14 -0.21 1.61 3.68 -0.50 -4.93 116.67 119.46 1wxr s ASP 628 Ca 0.00 -1.08 0.15 0.00 2.13 0.00 0.00 52.55 53.75 1wxr s ASP 628 Cb 0.00 -2.18 0.74 0.00 -1.45 0.00 0.00 42.92 40.03 1wxr s ASP 628 CO 0.00 -0.56 1.66 1.41 0.13 0.00 0.00 175.17 177.81 1wxr n HIS 629 N 5.24 1.76 0.42 -5.34 8.25 -1.26 -1.72 115.22 122.57 1wxr n HIS 629 Ca -0.11 -0.76 0.12 0.00 -0.26 0.00 0.00 57.72 56.72 1wxr n HIS 629 Cb 0.45 -0.44 0.24 0.00 1.12 0.00 0.00 29.99 31.36 1wxr n HIS 629 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1wxr h SER 630 N 3.47 0.00 -2.87 0.41 4.64 -1.95 -3.46 113.55 113.78 1wxr h SER 630 Ca 0.00 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.74 1wxr h SER 630 Cb 1.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1wxr h SER 630 CO 0.41 0.02 0.86 -0.69 -0.87 0.00 0.00 176.83 176.56 1wxr s VAL 631 N -3.18 3.66 0.54 0.95 1.01 -1.26 -4.68 120.40 117.44 1wxr s VAL 631 Ca 0.07 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 1wxr s VAL 631 Cb 0.10 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1wxr s VAL 631 CO 0.67 -0.01 0.94 -0.76 0.00 0.00 0.00 175.10 175.93 1wxr s LEU 632 N 2.53 3.48 0.00 3.92 1.02 -1.26 -4.91 118.68 123.46 1wxr s LEU 632 Ca 0.65 1.32 0.00 0.00 0.02 0.00 0.00 54.13 56.12 1wxr s LEU 632 Cb -0.32 -4.30 0.00 0.00 0.02 0.00 0.00 46.19 41.59 1wxr s LEU 632 CO 0.27 -0.68 0.77 1.07 0.02 0.00 0.00 176.35 177.80 1wxr n THR 633 N -2.18 0.59 -3.63 5.49 5.66 -1.26 -1.57 114.28 117.37 1wxr n THR 633 Ca 0.05 -0.73 -0.11 0.00 -3.05 0.00 0.00 64.05 60.20 1wxr n THR 633 Cb 0.54 0.75 -0.07 0.00 -1.55 0.00 0.00 70.33 70.00 1wxr n THR 633 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1wxr s GLN 634 N -0.59 0.69 0.30 1.09 0.74 -1.26 -4.76 119.66 115.87 1wxr s GLN 634 Ca 0.00 0.87 0.01 0.00 0.05 0.00 0.00 55.36 56.29 1wxr s GLN 634 Cb 0.00 0.32 0.46 0.00 1.10 0.00 0.00 33.01 34.89 1wxr s GLN 634 CO 0.00 -0.09 1.81 -1.00 -0.55 0.00 0.00 175.29 175.46 1wxr h PRO 635 N 4.95 0.66 -3.86 1.67 0.13 -1.79 -3.44 132.00 130.31 1wxr h PRO 635 Ca -0.29 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1wxr h PRO 635 Cb 1.17 -0.09 -0.19 0.00 0.13 0.00 0.00 31.00 32.03 1wxr h PRO 635 CO 0.09 0.68 -0.59 0.95 -0.23 0.00 0.00 178.00 178.89 1wxr s THR 636 N -4.97 0.13 0.15 1.56 -4.23 -1.26 -1.37 115.64 105.65 1wxr s THR 636 Ca -0.08 -1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.35 1wxr s THR 636 Cb 0.15 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.26 1wxr s THR 636 CO 0.79 -0.58 0.10 -0.94 -0.54 0.00 0.00 174.62 173.45 1wxr s SER 637 N -1.89 0.24 0.32 3.99 1.04 -1.26 -4.92 113.70 111.21 1wxr s SER 637 Ca -0.09 -1.20 0.10 0.00 0.48 0.00 0.00 55.95 55.24 1wxr s SER 637 Cb -0.04 0.33 0.52 0.00 0.10 0.00 0.00 66.02 66.93 1wxr s SER 637 CO -0.03 -0.78 1.71 -0.26 0.98 0.00 0.00 173.24 174.87 1wxr h PHE 638 N 2.77 0.06 -0.00 5.02 0.04 -1.96 -3.27 116.94 119.60 1wxr h PHE 638 Ca -0.35 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1wxr h PHE 638 Cb 1.21 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1wxr h PHE 638 CO 0.41 0.52 -0.54 -1.13 -0.60 0.00 0.00 178.31 176.98 1wxr n SER 639 N -3.97 0.68 -4.71 2.17 3.41 -1.26 -4.72 113.62 105.23 1wxr n SER 639 Ca -0.02 -0.48 -0.32 0.00 -0.26 0.00 0.00 58.87 57.80 1wxr n SER 639 Cb 0.51 0.35 0.13 0.00 -0.26 0.00 0.00 64.21 64.93 1wxr n SER 639 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wxr s GLN 640 N -2.92 1.62 -0.02 4.33 -2.07 -1.24 -4.96 119.66 114.41 1wxr s GLN 640 Ca 0.13 1.50 0.21 0.00 -1.82 0.00 0.00 55.36 55.37 1wxr s GLN 640 Cb 0.18 -1.80 -0.28 0.00 -1.09 0.00 0.00 33.01 30.02 1wxr s GLN 640 CO 0.69 -2.18 0.65 -1.91 -1.32 0.00 0.00 175.29 171.22 1wxr n GLU 641 N -3.68 0.46 -3.31 9.60 4.07 -1.26 -4.84 120.64 121.69 1wxr n GLU 641 Ca 0.11 -0.11 -0.44 0.00 -0.06 0.00 0.00 57.16 56.67 1wxr n GLU 641 Cb 0.52 -1.49 -0.08 0.00 -0.06 0.00 0.00 31.44 30.34 1wxr n GLU 641 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1wxr s ASP 642 N -3.76 6.18 0.12 4.31 3.84 -1.26 -5.04 116.67 121.06 1wxr s ASP 642 Ca -0.01 -1.03 0.10 0.00 -0.00 0.00 0.00 52.55 51.62 1wxr s ASP 642 Cb 0.14 -2.22 -0.04 0.00 -1.38 0.00 0.00 42.92 39.42 1wxr s ASP 642 CO 0.86 -0.70 -0.24 0.26 -0.00 0.00 0.00 175.17 175.35 1wxr s TRP 643 N 2.06 2.38 -0.17 2.11 0.52 -1.26 -0.73 118.94 123.86 1wxr s TRP 643 Ca 0.09 -0.34 -0.12 0.00 0.02 0.00 0.00 56.10 55.75 1wxr s TRP 643 Cb -0.21 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 30.78 1wxr s TRP 643 CO 0.10 0.34 0.22 -1.21 0.02 0.00 0.00 176.95 176.43 1wxr s GLU 644 N -2.04 4.17 0.17 4.98 2.02 0.18 -4.83 118.70 123.35 1wxr s GLU 644 Ca 0.15 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.81 1wxr s GLU 644 Cb -0.10 -3.40 -0.07 0.00 0.10 0.00 0.00 34.13 30.65 1wxr s GLU 644 CO 0.07 0.31 1.02 -0.80 0.02 0.00 0.00 175.26 175.88 1wxr s ASN 645 N 0.28 7.42 -0.05 -0.19 0.01 -1.26 -1.73 114.94 119.43 1wxr s ASN 645 Ca 0.13 1.97 0.05 0.00 -0.71 0.00 0.00 52.86 54.30 1wxr s ASN 645 Cb -0.12 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 1wxr s ASN 645 CO 0.02 -0.09 -0.19 -0.13 -1.51 0.00 0.00 177.10 175.20 1wxr s ARG 646 N -0.48 1.97 -0.11 -0.60 1.81 0.01 -4.94 118.95 116.62 1wxr s ARG 646 Ca 0.46 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.79 1wxr s ARG 646 Cb -0.27 -1.70 -0.02 0.00 -0.45 0.00 0.00 34.95 32.51 1wxr s ARG 646 CO 0.33 0.28 -0.10 0.45 -0.68 0.00 0.00 175.30 175.58 1wxr s SER 647 N -0.02 4.32 -0.22 0.23 0.15 -1.26 -0.86 113.70 116.04 1wxr s SER 647 Ca -0.04 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1wxr s SER 647 Cb -0.12 -1.40 0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1wxr s SER 647 CO 0.03 0.24 -0.09 -0.36 1.20 0.00 0.00 173.24 174.26 1wxr s PHE 648 N -0.11 2.55 -0.09 3.44 0.08 0.19 -2.02 117.98 122.01 1wxr s PHE 648 Ca -0.00 -1.75 0.03 0.00 0.12 0.00 0.00 56.93 55.33 1wxr s PHE 648 Cb -0.13 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1wxr s PHE 648 CO 0.03 -0.77 -0.20 0.99 -0.10 0.00 0.00 175.22 175.16 1wxr s THR 649 N 1.35 1.79 0.02 0.64 2.01 0.18 -0.93 115.64 120.70 1wxr s THR 649 Ca -0.04 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.11 1wxr s THR 649 Cb -0.17 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 1wxr s THR 649 CO -0.07 0.50 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.97 1wxr s PHE 650 N 0.48 0.24 0.26 4.92 0.40 -1.06 -1.24 117.98 121.98 1wxr s PHE 650 Ca -0.17 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1wxr s PHE 650 Cb -0.17 -0.17 0.52 0.00 0.51 0.00 0.00 43.02 43.70 1wxr s PHE 650 CO 0.06 -0.17 1.76 0.22 0.70 0.00 0.00 175.22 177.80 1wxr h ASP 651 N 4.78 0.53 -4.10 1.36 -0.00 -1.26 -3.39 116.42 114.34 1wxr h ASP 651 Ca -0.31 0.09 -0.11 0.00 -0.00 0.00 0.00 57.03 56.69 1wxr h ASP 651 Cb 1.21 0.01 -0.23 0.00 -0.00 0.00 0.00 39.33 40.32 1wxr h ASP 651 CO 0.42 0.23 -0.20 -0.60 -0.00 0.00 0.00 179.24 179.09 1wxr s ARG 652 N -5.98 0.56 -0.35 0.28 3.52 -1.22 -3.14 118.95 112.63 1wxr s ARG 652 Ca -0.12 0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 55.96 1wxr s ARG 652 Cb 0.21 0.27 0.09 0.00 -1.56 0.00 0.00 34.95 33.96 1wxr s ARG 652 CO 0.78 -0.09 0.08 -1.17 -0.81 0.00 0.00 175.30 174.09 1wxr s LEU 653 N -0.05 4.57 -0.21 -0.88 2.96 -0.06 -1.02 118.68 123.99 1wxr s LEU 653 Ca -0.02 -1.79 -0.21 0.00 -0.22 0.00 0.00 54.13 51.89 1wxr s LEU 653 Cb -0.03 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1wxr s LEU 653 CO 0.02 -0.39 0.63 -0.55 -1.32 0.00 0.00 176.35 174.74 1wxr s SER 654 N 1.36 6.66 -0.04 3.68 0.15 0.10 -0.68 113.70 124.94 1wxr s SER 654 Ca 0.03 0.81 0.07 0.00 0.70 0.00 0.00 55.95 57.56 1wxr s SER 654 Cb -0.21 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1wxr s SER 654 CO -0.04 -0.30 -0.25 -0.76 1.20 0.00 0.00 173.24 173.09 1wxr s LEU 655 N 2.07 2.12 -0.15 3.45 1.43 0.20 -0.62 118.68 127.17 1wxr s LEU 655 Ca 0.28 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1wxr s LEU 655 Cb -0.16 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 44.76 1wxr s LEU 655 CO 0.10 0.30 0.33 -0.75 0.23 0.00 0.00 176.35 176.55 1wxr s LYS 656 N -0.46 0.24 -1.61 1.70 2.20 -0.75 -0.72 119.74 120.34 1wxr s LYS 656 Ca 0.05 0.83 -0.15 0.00 -0.36 0.00 0.00 55.97 56.34 1wxr s LYS 656 Cb -0.11 0.08 0.12 0.00 -1.51 0.00 0.00 37.83 36.41 1wxr s LYS 656 CO 0.01 -0.25 0.81 0.09 -0.36 0.00 0.00 175.35 175.65 1wxr n ASN 657 N 5.12 -3.42 -4.22 1.43 3.02 -0.42 -0.69 115.26 116.07 1wxr n ASN 657 Ca -0.11 -0.94 -0.15 0.00 -0.03 0.00 0.00 54.58 53.35 1wxr n ASN 657 Cb 0.51 -3.16 -0.11 0.00 -0.61 0.00 0.00 39.78 36.41 1wxr n ASN 657 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1wxr s THR 658 N -3.37 1.13 -0.56 3.41 -1.32 -1.25 -3.28 115.64 110.41 1wxr s THR 658 Ca 0.63 -1.85 -0.07 0.00 -1.21 0.00 0.00 61.69 59.19 1wxr s THR 658 Cb -0.33 -1.62 0.14 0.00 -1.51 0.00 0.00 72.50 69.18 1wxr s THR 658 CO 0.89 -0.61 0.41 -0.62 -2.21 0.00 0.00 174.62 172.48 1wxr s ASP 659 N -2.77 5.61 -0.08 8.08 3.68 -0.99 -1.82 116.67 128.39 1wxr s ASP 659 Ca 0.11 -2.34 -0.13 0.00 2.13 0.00 0.00 52.55 52.32 1wxr s ASP 659 Cb -0.01 -1.95 -0.05 0.00 -1.45 0.00 0.00 42.92 39.46 1wxr s ASP 659 CO 0.01 -0.55 0.32 0.12 0.13 0.00 0.00 175.17 175.21 1wxr s PHE 660 N 0.70 3.62 -0.04 -5.34 5.36 0.12 -2.09 117.98 120.31 1wxr s PHE 660 Ca 0.11 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 56.88 1wxr s PHE 660 Cb -0.22 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.24 1wxr s PHE 660 CO -0.03 0.53 -0.05 0.20 -1.46 0.00 0.00 175.22 174.40 1wxr s GLY 661 N -0.54 0.43 -0.31 13.12 0.00 0.76 -0.83 107.32 119.95 1wxr s GLY 661 Ca 0.20 -0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.72 1wxr s GLY 661 CO 0.09 0.29 0.17 -2.27 0.00 0.00 0.00 173.10 171.38 1wxr s LEU 662 N 0.68 4.16 0.00 0.66 2.96 0.36 -0.69 118.68 126.81 1wxr s LEU 662 Ca -0.09 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1wxr s LEU 662 Cb -0.12 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.59 1wxr s LEU 662 CO 0.00 -0.18 0.47 0.61 -1.32 0.00 0.00 176.35 175.93 1wxr n GLY 663 N 5.02 1.44 3.72 7.98 0.00 0.36 -0.28 105.19 123.43 1wxr n GLY 663 Ca -0.14 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 1wxr n GLY 663 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wxr s ARG 664 N -3.57 2.10 -1.22 1.61 1.70 -1.26 -3.52 118.95 114.77 1wxr s ARG 664 Ca 0.34 1.89 -0.01 0.00 -0.47 0.00 0.00 55.73 57.47 1wxr s ARG 664 Cb -0.02 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 32.54 1wxr s ARG 664 CO 0.22 -1.90 0.18 0.09 -1.08 0.00 0.00 175.30 172.81 1wxr n ASN 665 N -2.62 -4.69 -4.05 -2.89 4.13 0.78 -0.90 115.26 105.02 1wxr n ASN 665 Ca 0.14 -0.09 -0.14 0.00 1.68 0.00 0.00 54.58 56.17 1wxr n ASN 665 Cb 0.49 -3.71 -0.12 0.00 -1.54 0.00 0.00 39.78 34.90 1wxr n ASN 665 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wxr s ALA 666 N -2.86 0.58 -0.08 5.41 0.00 -1.23 -0.81 121.76 122.77 1wxr s ALA 666 Ca 0.09 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1wxr s ALA 666 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1wxr s ALA 666 CO 0.11 0.02 -0.23 0.99 0.00 0.00 0.00 175.76 176.64 1wxr s THR 667 N -1.12 2.17 -0.22 0.00 2.01 -0.04 -1.46 115.64 116.97 1wxr s THR 667 Ca -0.07 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.88 1wxr s THR 667 Cb -0.08 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 1wxr s THR 667 CO 0.00 0.56 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.23 1wxr s LEU 668 N 0.05 2.93 -0.37 4.42 2.96 -0.15 0.54 118.68 129.06 1wxr s LEU 668 Ca -0.10 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1wxr s LEU 668 Cb -0.15 -1.73 0.09 0.00 0.50 0.00 0.00 46.19 44.89 1wxr s LEU 668 CO 0.06 -0.04 0.12 0.20 -1.32 0.00 0.00 176.35 175.37 1wxr s ASN 669 N 1.46 5.09 0.14 3.68 0.01 -0.11 -0.76 114.94 124.46 1wxr s ASN 669 Ca 0.05 -1.78 -0.25 0.00 -0.71 0.00 0.00 52.86 50.17 1wxr s ASN 669 Cb -0.14 -1.77 0.07 0.00 0.41 0.00 0.00 41.25 39.82 1wxr s ASN 669 CO -0.03 -0.43 1.02 0.28 -1.51 0.00 0.00 177.10 176.42 1wxr s THR 670 N 1.16 0.00 -0.27 1.60 -1.32 -0.85 -2.56 115.64 113.40 1wxr s THR 670 Ca 0.04 -0.60 -0.16 0.00 -1.21 0.00 0.00 61.69 59.77 1wxr s THR 670 Cb -0.21 -2.24 -0.03 0.00 -1.51 0.00 0.00 72.50 68.50 1wxr s THR 670 CO -0.03 0.00 0.41 -0.89 -2.21 0.00 0.00 174.62 171.90 1wxr s THR 671 N -2.88 5.14 -0.07 5.08 2.01 -1.19 -2.75 115.64 120.98 1wxr s THR 671 Ca 0.15 0.65 -0.18 0.00 0.31 0.00 0.00 61.69 62.62 1wxr s THR 671 Cb -0.01 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1wxr s THR 671 CO 0.02 0.13 0.49 -0.63 -0.69 0.00 0.00 174.62 173.94 1wxr s ILE 672 N 2.14 5.09 -0.39 1.82 1.01 0.30 -0.88 121.20 130.29 1wxr s ILE 672 Ca 0.17 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.85 1wxr s ILE 672 Cb -0.16 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.60 1wxr s ILE 672 CO 0.10 0.40 0.11 -1.10 0.00 0.00 0.00 174.94 174.45 1wxr s GLN 673 N 0.09 1.58 -0.16 2.79 -0.21 0.14 0.33 119.66 124.23 1wxr s GLN 673 Ca 0.27 -2.06 -0.08 0.00 0.02 0.00 0.00 55.36 53.51 1wxr s GLN 673 Cb -0.16 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 1wxr s GLN 673 CO 0.12 -0.99 0.12 0.00 -2.12 0.00 0.00 175.29 172.42 1wxr s ALA 674 N 0.59 3.69 -0.17 6.09 0.00 0.34 -0.63 121.76 131.68 1wxr s ALA 674 Ca 0.13 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 1wxr s ALA 674 Cb -0.21 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 20.93 1wxr s ALA 674 CO -0.06 0.35 -0.06 0.34 0.00 0.00 0.00 175.76 176.33 1wxr s ASP 675 N -0.20 2.84 -1.50 0.00 -1.08 0.10 -1.51 116.67 115.31 1wxr s ASP 675 Ca 0.10 -0.66 -0.07 0.00 -0.52 0.00 0.00 52.55 51.40 1wxr s ASP 675 Cb -0.12 -0.93 0.06 0.00 -1.46 0.00 0.00 42.92 40.47 1wxr s ASP 675 CO 0.01 -0.18 0.63 -3.20 0.52 0.00 0.00 175.17 172.95 1wxr n ASN 676 N 4.86 -1.89 -4.14 -0.34 5.15 -0.88 -1.30 115.26 116.72 1wxr n ASN 676 Ca -0.12 -0.96 -0.15 0.00 -0.60 0.00 0.00 54.58 52.75 1wxr n ASN 676 Cb 0.48 -3.18 -0.11 0.00 -0.53 0.00 0.00 39.78 36.43 1wxr n ASN 676 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wxr s SER 677 N -3.91 1.34 0.01 1.20 0.01 -1.26 -3.03 113.70 108.05 1wxr s SER 677 Ca 0.31 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.79 1wxr s SER 677 Cb -0.16 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1wxr s SER 677 CO 0.88 -0.18 0.35 -0.94 0.41 0.00 0.00 173.24 173.76 1wxr s SER 678 N -1.94 6.66 -0.14 2.44 1.04 -0.76 -1.70 113.70 119.31 1wxr s SER 678 Ca -0.02 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1wxr s SER 678 Cb -0.07 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.89 1wxr s SER 678 CO 0.01 0.28 -0.12 0.54 0.98 0.00 0.00 173.24 174.93 1wxr s VAL 679 N -1.20 1.38 -0.26 5.02 0.11 0.28 -0.70 120.40 125.02 1wxr s VAL 679 Ca 0.26 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1wxr s VAL 679 Cb -0.15 -1.33 0.05 0.00 -1.53 0.00 0.00 36.38 33.42 1wxr s VAL 679 CO 0.14 0.41 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.35 1wxr s THR 680 N 1.56 2.47 -0.47 5.04 2.01 -0.01 -0.03 115.64 126.22 1wxr s THR 680 Ca 0.05 -1.44 -0.15 0.00 0.31 0.00 0.00 61.69 60.45 1wxr s THR 680 Cb -0.13 -2.39 0.07 0.00 0.01 0.00 0.00 72.50 70.06 1wxr s THR 680 CO -0.10 0.02 0.39 -0.76 -0.69 0.00 0.00 174.62 173.49 1wxr s LEU 681 N 1.18 5.59 0.00 4.42 2.01 -0.03 -0.49 118.68 131.36 1wxr s LEU 681 Ca -0.06 -1.29 0.00 0.00 0.01 0.00 0.00 54.13 52.79 1wxr s LEU 681 Cb -0.19 -2.18 0.00 0.00 0.01 0.00 0.00 46.19 43.83 1wxr s LEU 681 CO -0.04 -0.64 0.00 0.61 1.01 0.00 0.00 176.35 177.29 1wxr n GLY 682 N 5.20 0.71 3.61 -3.19 0.00 0.02 -0.42 105.19 111.11 1wxr n GLY 682 Ca -0.12 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 1wxr n GLY 682 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wxr s ASP 683 N -2.10 6.06 0.31 1.61 -1.08 0.61 -4.69 116.67 117.39 1wxr s ASP 683 Ca 0.00 0.04 0.26 0.00 -0.52 0.00 0.00 52.55 52.33 1wxr s ASP 683 Cb 0.00 -2.12 0.88 0.00 -1.46 0.00 0.00 42.92 40.22 1wxr s ASP 683 CO 0.00 -0.03 1.76 0.77 0.52 0.00 0.00 175.17 178.19 1wxr h SER 684 N 8.16 0.00 -2.89 -0.34 4.64 -1.88 -3.38 113.55 117.85 1wxr h SER 684 Ca -0.36 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.42 1wxr h SER 684 Cb 1.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 1wxr h SER 684 CO 0.58 0.00 1.00 -0.13 -0.87 0.00 0.00 176.83 177.41 1wxr s ARG 685 N -3.27 3.39 0.36 4.77 3.00 -1.26 -1.23 118.95 124.71 1wxr s ARG 685 Ca 0.07 0.06 0.03 0.00 0.00 0.00 0.00 55.73 55.89 1wxr s ARG 685 Cb 0.10 -4.08 -0.01 0.00 0.00 0.00 0.00 34.95 30.96 1wxr s ARG 685 CO 0.53 -1.85 0.11 1.33 0.00 0.00 0.00 175.30 175.42 1wxr n VAL 686 N 6.56 0.00 -4.10 3.52 0.24 -0.99 -4.89 118.33 118.68 1wxr n VAL 686 Ca 0.06 -2.02 -0.14 0.00 -2.04 0.00 0.00 64.34 60.20 1wxr n VAL 686 Cb 0.49 0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 33.43 1wxr n VAL 686 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1wxr s PHE 687 N -2.82 0.81 0.33 6.34 0.40 -1.26 -0.89 117.98 120.90 1wxr s PHE 687 Ca 0.16 -0.52 0.08 0.00 -0.60 0.00 0.00 56.93 56.04 1wxr s PHE 687 Cb 0.01 -0.47 -0.06 0.00 0.51 0.00 0.00 43.02 43.00 1wxr s PHE 687 CO 0.11 -0.06 -0.07 0.96 0.70 0.00 0.00 175.22 176.87 1wxr s ILE 688 N -1.54 2.00 -0.28 0.64 -4.36 -0.46 -4.96 121.20 112.24 1wxr s ILE 688 Ca -0.06 -2.16 -0.03 0.00 -0.26 0.00 0.00 60.65 58.14 1wxr s ILE 688 Cb -0.09 -2.62 0.03 0.00 1.25 0.00 0.00 42.46 41.03 1wxr s ILE 688 CO 0.00 -0.21 -0.00 -0.62 0.24 0.00 0.00 174.94 174.35 1wxr s ASP 689 N -3.56 4.73 0.54 4.36 3.68 -1.26 -1.72 116.67 123.44 1wxr s ASP 689 Ca 0.32 -1.03 0.36 0.00 2.13 0.00 0.00 52.55 54.33 1wxr s ASP 689 Cb 0.04 -1.73 1.82 0.00 -1.45 0.00 0.00 42.92 41.60 1wxr s ASP 689 CO 0.15 -0.20 2.09 0.11 0.13 0.00 0.00 175.17 177.45 1wxr h LYS 690 N 8.05 0.00 -0.27 4.34 1.79 -1.36 -2.01 116.57 127.12 1wxr h LYS 690 Ca -0.27 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.15 1wxr h LYS 690 Cb 1.09 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 1wxr h LYS 690 CO 0.56 0.00 -0.01 -1.71 -1.08 0.00 0.00 179.45 177.22 1wxr n ASN 691 N -2.86 3.49 -4.67 0.86 5.15 -1.26 -4.52 115.26 111.44 1wxr n ASN 691 Ca -0.01 -3.19 -0.46 0.00 -0.60 0.00 0.00 54.58 50.32 1wxr n ASN 691 Cb 0.14 -0.56 -0.04 0.00 -0.53 0.00 0.00 39.78 38.78 1wxr n ASN 691 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wxr n ASP 692 N -0.71 3.18 0.00 1.20 -0.08 -0.76 -1.80 116.55 117.59 1wxr n ASP 692 Ca 0.24 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.59 1wxr n ASP 692 Cb 0.92 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.95 1wxr n ASP 692 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wxr n GLY 693 N 3.52 1.54 1.02 0.27 0.00 -1.26 -4.81 105.19 105.47 1wxr n GLY 693 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1wxr n GLY 693 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wxr n GLN 694 N -2.00 2.38 0.00 1.61 1.13 -0.74 -4.78 117.38 114.98 1wxr n GLN 694 Ca 0.00 -2.05 0.00 0.00 -1.94 0.00 0.00 57.00 53.01 1wxr n GLN 694 Cb 0.00 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.87 1wxr n GLN 694 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wxr n GLY 695 N 1.40 0.76 0.12 1.08 0.00 -1.26 -4.74 105.19 102.55 1wxr n GLY 695 Ca 0.16 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 1wxr n GLY 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wxr h THR 696 N 0.00 1.42 -3.93 2.61 1.35 -1.85 -3.41 112.91 109.09 1wxr h THR 696 Ca 0.00 -2.43 -0.53 0.00 -0.55 0.00 0.00 66.41 62.90 1wxr h THR 696 Cb 0.00 2.34 0.10 0.00 -1.73 0.00 0.00 68.15 68.85 1wxr h THR 696 CO 0.00 0.68 0.72 0.00 -0.25 0.00 0.00 175.52 176.67 1wxr s ALA 697 N -3.31 3.50 0.06 6.62 0.00 -1.26 -4.60 121.76 122.77 1wxr s ALA 697 Ca -0.00 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.46 1wxr s ALA 697 Cb 0.11 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1wxr s ALA 697 CO 0.77 -0.96 -0.10 -0.59 0.00 0.00 0.00 175.76 174.88 1wxr s PHE 698 N -1.14 0.92 -0.23 0.00 -0.12 -1.26 -4.79 117.98 111.36 1wxr s PHE 698 Ca 0.53 -0.54 -0.00 0.00 -0.05 0.00 0.00 56.93 56.87 1wxr s PHE 698 Cb -0.44 -0.53 0.06 0.00 -0.63 0.00 0.00 43.02 41.48 1wxr s PHE 698 CO 0.59 -0.03 -0.03 0.95 -0.05 0.00 0.00 175.22 176.65 1wxr s THR 699 N -1.65 1.29 0.13 -4.49 -4.23 -1.26 -4.95 115.64 100.48 1wxr s THR 699 Ca -0.04 -1.08 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1wxr s THR 699 Cb -0.08 -1.62 -0.07 0.00 1.34 0.00 0.00 72.50 72.07 1wxr s THR 699 CO 0.01 -0.14 1.22 -0.76 -0.54 0.00 0.00 174.62 174.40 1wxr s LEU 700 N 1.50 4.41 -0.07 4.79 1.43 -1.26 -0.84 118.68 128.65 1wxr s LEU 700 Ca -0.04 2.16 -0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1wxr s LEU 700 Cb -0.18 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1wxr s LEU 700 CO -0.07 -0.44 -0.03 -0.70 0.23 0.00 0.00 176.35 175.34 1wxr s GLU 701 N 0.38 0.88 0.20 1.70 2.12 -0.70 -4.96 118.70 118.32 1wxr s GLU 701 Ca 0.56 -0.05 -0.22 0.00 0.36 0.00 0.00 54.97 55.62 1wxr s GLU 701 Cb -0.32 -1.03 -0.08 0.00 0.26 0.00 0.00 34.13 32.96 1wxr s GLU 701 CO 0.33 -0.19 0.74 -2.00 -0.54 0.00 0.00 175.26 173.60 1wxr s GLU 702 N 1.45 4.36 0.00 4.30 2.12 -1.26 -1.35 118.70 128.31 1wxr s GLU 702 Ca -0.02 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.28 1wxr s GLU 702 Cb -0.13 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.25 1wxr s GLU 702 CO -0.03 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 1wxr n GLY 703 N 1.02 2.65 3.47 -1.50 0.00 -0.06 -4.98 105.19 105.78 1wxr n GLY 703 Ca -0.04 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1wxr n GLY 703 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxr s THR 704 N -2.69 3.29 -0.21 2.61 2.01 -1.26 -2.34 115.64 117.06 1wxr s THR 704 Ca 0.00 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1wxr s THR 704 Cb 0.00 -2.35 0.11 0.00 0.01 0.00 0.00 72.50 70.27 1wxr s THR 704 CO 0.00 0.56 0.36 -0.55 -0.69 0.00 0.00 174.62 174.30 1wxr s SER 705 N -0.28 0.20 -0.21 3.53 0.15 -0.36 -4.75 113.70 111.98 1wxr s SER 705 Ca 0.03 0.49 -0.08 0.00 0.70 0.00 0.00 55.95 57.09 1wxr s SER 705 Cb -0.13 1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 65.21 1wxr s SER 705 CO 0.03 -0.27 0.08 -0.69 1.20 0.00 0.00 173.24 173.58 1wxr s VAL 706 N 2.53 4.72 -0.10 4.45 1.01 -1.26 -4.67 120.40 127.08 1wxr s VAL 706 Ca 0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1wxr s VAL 706 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1wxr s VAL 706 CO -0.13 0.40 1.46 0.00 0.00 0.00 0.00 175.10 176.83 1wxr s ALA 707 N 0.85 3.64 -0.10 5.51 0.00 -1.26 -4.85 121.76 125.55 1wxr s ALA 707 Ca 0.04 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1wxr s ALA 707 Cb -0.14 -3.68 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 1wxr s ALA 707 CO 0.02 -1.27 -0.05 0.25 0.00 0.00 0.00 175.76 174.71 1wxr n THR 708 N 5.39 0.58 -2.58 0.00 -2.24 -1.26 -4.83 114.28 109.34 1wxr n THR 708 Ca 0.15 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 61.30 1wxr n THR 708 Cb 0.44 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.78 1wxr n THR 708 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wxr s LYS 709 N -2.20 4.29 0.34 -0.78 1.02 -1.26 -4.95 119.74 116.19 1wxr s LYS 709 Ca -0.11 1.50 0.08 0.00 0.02 0.00 0.00 55.97 57.47 1wxr s LYS 709 Cb 0.03 -2.65 0.61 0.00 -0.52 0.00 0.00 37.83 35.30 1wxr s LYS 709 CO 0.27 -0.02 1.79 -0.44 -0.92 0.00 0.00 175.35 176.03 1wxr h ASP 710 N 2.75 0.21 0.73 2.83 5.19 -1.98 -2.30 116.42 123.86 1wxr h ASP 710 Ca -0.48 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1wxr h ASP 710 Cb 1.21 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.66 1wxr h ASP 710 CO 0.63 0.51 0.00 0.00 -3.12 0.00 0.00 179.24 177.26 1wxr h ALA 711 N 1.51 1.00 0.00 3.45 0.00 -2.01 -2.78 119.26 120.42 1wxr h ALA 711 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wxr h ALA 711 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wxr h ALA 711 CO 0.05 0.00 -1.44 -0.25 0.00 0.00 0.00 179.25 177.61 1wxr n ASP 712 N -2.47 0.44 -4.77 0.00 10.43 -0.87 -4.85 116.55 114.45 1wxr n ASP 712 Ca 0.01 0.01 -0.41 0.00 2.57 0.00 0.00 54.79 56.97 1wxr n ASP 712 Cb 0.23 1.22 -0.01 0.00 1.84 0.00 0.00 41.12 44.40 1wxr n ASP 712 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1wxr s LYS 713 N -3.38 4.19 0.73 -1.24 1.02 -1.05 -0.16 119.74 119.85 1wxr s LYS 713 Ca -0.02 2.39 -0.13 0.00 0.02 0.00 0.00 55.97 58.22 1wxr s LYS 713 Cb 0.13 -2.99 0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1wxr s LYS 713 CO 0.85 -0.39 1.12 -1.54 -0.92 0.00 0.00 175.35 174.47 1wxr s SER 714 N -0.34 4.58 0.01 2.83 1.04 -1.26 -4.39 113.70 116.16 1wxr s SER 714 Ca 0.52 2.02 0.06 0.00 0.48 0.00 0.00 55.95 59.03 1wxr s SER 714 Cb -0.43 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.12 1wxr s SER 714 CO 0.58 -1.99 -0.19 -0.69 0.98 0.00 0.00 173.24 171.93 1wxr s VAL 715 N -2.48 1.51 -0.08 5.02 1.01 -0.54 -2.16 120.40 122.69 1wxr s VAL 715 Ca 0.66 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1wxr s VAL 715 Cb -0.21 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1wxr s VAL 715 CO 0.48 0.33 -0.20 0.12 0.00 0.00 0.00 175.10 175.83 1wxr s PHE 716 N -0.57 2.15 -0.11 5.22 2.19 0.22 -0.98 117.98 126.11 1wxr s PHE 716 Ca 0.07 -0.80 0.01 0.00 0.33 0.00 0.00 56.93 56.54 1wxr s PHE 716 Cb -0.08 -1.46 0.02 0.00 -1.31 0.00 0.00 43.02 40.19 1wxr s PHE 716 CO 0.00 -0.32 -0.14 -0.80 1.83 0.00 0.00 175.22 175.78 1wxr s ASN 717 N 0.31 2.39 0.00 6.13 0.01 0.06 -0.29 114.94 123.56 1wxr s ASN 717 Ca -0.14 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.60 1wxr s ASN 717 Cb -0.16 -1.06 0.00 0.00 0.41 0.00 0.00 41.25 40.44 1wxr s ASN 717 CO 0.06 -0.00 0.00 0.61 -1.51 0.00 0.00 177.10 176.26 1wxr n GLY 718 N 4.28 0.35 2.87 0.66 0.00 -0.59 -2.01 105.19 110.75 1wxr n GLY 718 Ca -0.19 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1wxr n GLY 718 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxr s THR 719 N 0.00 0.17 -0.20 2.61 2.01 -1.11 -2.34 115.64 116.78 1wxr s THR 719 Ca 0.00 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 1wxr s THR 719 Cb 0.00 -0.20 0.00 0.00 0.01 0.00 0.00 72.50 72.31 1wxr s THR 719 CO 0.00 0.09 -0.10 0.54 -0.69 0.00 0.00 174.62 174.45 1wxr s VAL 720 N 0.35 2.88 -0.28 3.82 0.11 -0.46 -0.54 120.40 126.29 1wxr s VAL 720 Ca -0.03 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.24 1wxr s VAL 720 Cb -0.06 -2.28 -0.05 0.00 -1.53 0.00 0.00 36.38 32.47 1wxr s VAL 720 CO -0.01 0.47 0.20 0.20 -3.33 0.00 0.00 175.10 172.63 1wxr s ASN 721 N 1.33 6.04 -0.08 3.54 0.01 0.15 -1.39 114.94 124.55 1wxr s ASN 721 Ca 0.04 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 1wxr s ASN 721 Cb -0.14 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.38 1wxr s ASN 721 CO -0.06 -0.05 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.56 1wxr s LEU 722 N 1.71 2.56 0.07 0.60 1.43 -0.27 -0.50 118.68 124.28 1wxr s LEU 722 Ca 0.08 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1wxr s LEU 722 Cb -0.16 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1wxr s LEU 722 CO 0.10 0.26 0.22 -0.62 0.23 0.00 0.00 176.35 176.55 1wxr s ASP 723 N -0.22 0.04 -0.84 2.29 3.68 -0.57 -1.57 116.67 119.48 1wxr s ASP 723 Ca -0.00 -0.49 -0.03 0.00 2.13 0.00 0.00 52.55 54.17 1wxr s ASP 723 Cb -0.13 0.34 0.00 0.00 -1.45 0.00 0.00 42.92 41.68 1wxr s ASP 723 CO 0.03 -0.68 0.64 -3.20 0.13 0.00 0.00 175.17 172.10 1wxr n ASN 724 N 0.22 -5.57 -1.25 -0.34 5.15 -1.13 -2.32 115.26 110.01 1wxr n ASN 724 Ca -0.17 -0.77 -0.10 0.00 -0.60 0.00 0.00 54.58 52.94 1wxr n ASN 724 Cb 0.61 -2.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.20 1wxr n ASN 724 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wxr n GLN 725 N -2.62 -1.17 -1.96 1.20 1.13 0.35 -2.08 117.38 112.23 1wxr n GLN 725 Ca -0.22 0.48 -0.30 0.00 -1.94 0.00 0.00 57.00 55.02 1wxr n GLN 725 Cb 0.64 -4.50 0.02 0.00 0.11 0.00 0.00 30.24 26.51 1wxr n GLN 725 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1wxr s SER 726 N -2.62 5.92 -0.06 1.08 0.01 -1.06 -4.47 113.70 112.51 1wxr s SER 726 Ca 0.03 1.24 0.02 0.00 1.31 0.00 0.00 55.95 58.55 1wxr s SER 726 Cb -0.01 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 64.01 1wxr s SER 726 CO 0.04 -1.02 -0.10 -0.69 0.41 0.00 0.00 173.24 171.88 1wxr s VAL 727 N -3.20 0.95 -0.16 3.43 1.01 -0.69 -1.28 120.40 120.46 1wxr s VAL 727 Ca 0.55 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1wxr s VAL 727 Cb -0.11 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1wxr s VAL 727 CO 0.52 0.31 -0.11 -0.22 0.00 0.00 0.00 175.10 175.61 1wxr s LEU 728 N 0.70 2.76 -0.28 3.92 2.96 -0.45 1.00 118.68 129.28 1wxr s LEU 728 Ca -0.13 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1wxr s LEU 728 Cb -0.15 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1wxr s LEU 728 CO 0.03 0.11 -0.01 0.20 -1.32 0.00 0.00 176.35 175.35 1wxr s ASN 729 N 0.70 4.71 -0.54 3.68 0.01 0.96 -0.66 114.94 123.80 1wxr s ASN 729 Ca -0.05 -1.07 -0.18 0.00 -0.71 0.00 0.00 52.86 50.85 1wxr s ASN 729 Cb -0.15 -1.71 0.08 0.00 0.41 0.00 0.00 41.25 39.88 1wxr s ASN 729 CO 0.02 -0.21 0.61 -0.63 -1.51 0.00 0.00 177.10 175.38 1wxr s ILE 730 N 1.31 4.94 -0.22 0.60 1.01 0.57 -0.85 121.20 128.56 1wxr s ILE 730 Ca -0.02 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.85 1wxr s ILE 730 Cb -0.18 -4.35 0.19 0.00 0.01 0.00 0.00 42.46 38.12 1wxr s ILE 730 CO -0.02 -0.90 1.13 0.59 0.00 0.00 0.00 174.94 175.74 1wxr n ASN 731 N 6.00 2.46 -0.04 3.58 3.02 0.43 -0.93 115.26 129.79 1wxr n ASN 731 Ca -0.09 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 1wxr n ASN 731 Cb 0.43 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1wxr n ASN 731 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1wxr n ASP 732 N -0.57 0.09 -4.53 6.41 3.85 -1.05 -4.70 116.55 116.05 1wxr n ASP 732 Ca 0.09 -0.03 -0.42 0.00 -0.71 0.00 0.00 54.79 53.71 1wxr n ASP 732 Cb 0.45 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.19 1wxr n ASP 732 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1wxr s ILE 733 N -0.94 3.93 -0.14 2.12 1.01 -0.92 -4.58 121.20 121.67 1wxr s ILE 733 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 1wxr s ILE 733 Cb 0.00 -4.82 -0.03 0.00 0.01 0.00 0.00 42.46 37.62 1wxr s ILE 733 CO 0.00 -1.65 0.00 0.12 0.00 0.00 0.00 174.94 173.41 1wxr s PHE 734 N 5.17 3.13 -0.28 3.97 2.19 -0.73 -0.61 117.98 130.83 1wxr s PHE 734 Ca 0.33 -0.04 -0.03 0.00 0.33 0.00 0.00 56.93 57.52 1wxr s PHE 734 Cb -0.10 -1.94 0.10 0.00 -1.31 0.00 0.00 43.02 39.77 1wxr s PHE 734 CO 0.16 0.18 0.11 -0.80 1.83 0.00 0.00 175.22 176.70 1wxr s ASN 735 N -0.02 3.59 -0.27 6.13 0.01 0.61 -0.84 114.94 124.14 1wxr s ASN 735 Ca 0.03 -1.33 -0.34 0.00 -0.71 0.00 0.00 52.86 50.51 1wxr s ASN 735 Cb -0.13 -0.51 0.17 0.00 0.41 0.00 0.00 41.25 41.19 1wxr s ASN 735 CO 0.02 -0.42 1.33 -0.83 -1.51 0.00 0.00 177.10 175.69 1wxr s GLY 736 N 1.94 -0.11 0.51 0.66 0.00 -0.86 -1.54 107.32 107.92 1wxr s GLY 736 Ca 0.08 2.20 -0.13 0.00 0.00 0.00 0.00 44.72 46.88 1wxr s GLY 736 CO -0.30 0.80 0.92 -0.32 0.00 0.00 0.00 173.10 174.20 1wxr s GLY 737 N -1.65 1.89 -0.12 0.20 0.00 -0.99 -2.02 107.32 104.63 1wxr s GLY 737 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.79 1wxr s GLY 737 CO -0.05 0.20 -0.14 -0.42 0.00 0.00 0.00 173.10 172.69 1wxr s ILE 738 N -2.70 1.46 -0.28 0.90 1.01 -1.22 -1.36 121.20 119.01 1wxr s ILE 738 Ca 0.55 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 1wxr s ILE 738 Cb -0.10 -1.36 0.05 0.00 0.01 0.00 0.00 42.46 41.06 1wxr s ILE 738 CO 0.38 0.44 -0.05 -1.10 0.00 0.00 0.00 174.94 174.61 1wxr s GLN 739 N 1.21 2.44 0.05 2.79 1.11 -0.48 -1.62 119.66 125.15 1wxr s GLN 739 Ca -0.02 -1.24 0.04 0.00 0.01 0.00 0.00 55.36 54.15 1wxr s GLN 739 Cb -0.14 -3.05 -0.02 0.00 -1.01 0.00 0.00 33.01 28.78 1wxr s GLN 739 CO -0.05 -0.57 -0.13 0.00 0.01 0.00 0.00 175.29 174.56 1wxr s ALA 740 N 1.22 1.04 -0.03 6.09 0.00 -0.11 -1.12 121.76 128.85 1wxr s ALA 740 Ca -0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1wxr s ALA 740 Cb -0.19 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1wxr s ALA 740 CO -0.03 0.16 0.08 1.21 0.00 0.00 0.00 175.76 177.18 1wxr s ASN 741 N -1.36 -0.06 -1.53 0.00 3.04 -0.61 -1.39 114.94 113.04 1wxr s ASN 741 Ca -0.01 0.16 -0.16 0.00 0.04 0.00 0.00 52.86 52.88 1wxr s ASN 741 Cb -0.09 0.12 0.15 0.00 -1.54 0.00 0.00 41.25 39.89 1wxr s ASN 741 CO 0.01 -0.06 0.63 0.59 -3.04 0.00 0.00 177.10 175.23 1wxr n ASN 742 N 3.44 -2.96 -0.53 -4.21 3.02 -0.17 -2.82 115.26 111.04 1wxr n ASN 742 Ca -0.17 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1wxr n ASN 742 Cb 0.57 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 1wxr n ASN 742 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wxr n SER 743 N -2.45 0.96 -3.84 6.41 7.64 -1.18 -0.49 113.62 120.68 1wxr n SER 743 Ca 0.06 -0.36 -0.12 0.00 1.01 0.00 0.00 58.87 59.46 1wxr n SER 743 Cb 0.49 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.56 1wxr n SER 743 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wxr s THR 744 N -0.56 0.00 -0.08 0.44 2.01 -0.41 -3.56 115.64 113.48 1wxr s THR 744 Ca 0.00 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1wxr s THR 744 Cb 0.00 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.37 1wxr s THR 744 CO 0.00 -0.00 -0.16 0.54 -0.69 0.00 0.00 174.62 174.30 1wxr s VAL 745 N 0.04 1.46 -0.07 3.82 0.11 -0.37 -1.35 120.40 124.04 1wxr s VAL 745 Ca -0.00 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 1wxr s VAL 745 Cb -0.01 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 1wxr s VAL 745 CO 0.00 0.43 -0.14 0.20 -3.33 0.00 0.00 175.10 172.25 1wxr s ASN 746 N 0.59 3.97 -0.11 3.54 0.01 0.17 -0.57 114.94 122.53 1wxr s ASN 746 Ca -0.15 -0.25 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1wxr s ASN 746 Cb -0.16 -1.08 0.02 0.00 0.41 0.00 0.00 41.25 40.44 1wxr s ASN 746 CO 0.05 0.29 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.20 1wxr s ILE 747 N -0.37 1.14 -0.49 0.60 1.01 0.66 -0.32 121.20 123.44 1wxr s ILE 747 Ca 0.04 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.37 1wxr s ILE 747 Cb -0.12 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 1wxr s ILE 747 CO 0.02 0.38 0.47 -1.54 0.00 0.00 0.00 174.94 174.27 1wxr n SER 748 N 4.79 0.91 -4.77 3.58 3.41 -0.10 -1.54 113.62 119.90 1wxr n SER 748 Ca -0.14 -0.95 -0.40 0.00 -0.26 0.00 0.00 58.87 57.11 1wxr n SER 748 Cb 0.50 0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.90 1wxr n SER 748 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wxr s SER 749 N -0.92 6.51 0.00 4.04 0.15 -0.75 -4.03 113.70 118.70 1wxr s SER 749 Ca 0.04 2.75 0.13 0.00 0.70 0.00 0.00 55.95 59.57 1wxr s SER 749 Cb 0.04 -2.65 0.45 0.00 -1.71 0.00 0.00 66.02 62.15 1wxr s SER 749 CO 0.13 -0.72 1.34 -0.90 1.20 0.00 0.00 173.24 174.29 1wxr n ASP 750 N 0.48 1.60 -3.08 5.45 3.85 -1.26 -0.76 116.55 122.83 1wxr n ASP 750 Ca 0.02 -1.89 -0.19 0.00 -0.71 0.00 0.00 54.79 52.01 1wxr n ASP 750 Cb 0.42 -0.17 -0.03 0.00 -1.35 0.00 0.00 41.12 39.98 1wxr n ASP 750 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1wxr n SER 751 N 0.34 -0.53 -4.19 -1.12 7.64 -1.22 -4.54 113.62 109.99 1wxr n SER 751 Ca 0.12 -2.89 -0.33 0.00 1.01 0.00 0.00 58.87 56.79 1wxr n SER 751 Cb 0.27 -0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.31 1wxr n SER 751 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wxr s ALA 752 N -0.84 2.27 -0.21 -0.43 0.00 -1.16 -1.77 121.76 119.63 1wxr s ALA 752 Ca 0.34 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1wxr s ALA 752 Cb 0.20 -0.99 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1wxr s ALA 752 CO -0.14 0.03 -0.13 0.08 0.00 0.00 0.00 175.76 175.61 1wxr s VAL 753 N 0.73 2.59 -0.24 0.00 1.01 -0.02 -1.56 120.40 122.91 1wxr s VAL 753 Ca -0.09 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1wxr s VAL 753 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1wxr s VAL 753 CO 0.00 0.43 0.13 -0.76 0.00 0.00 0.00 175.10 174.90 1wxr s LEU 754 N 1.34 3.92 0.00 3.92 1.43 -0.05 -2.03 118.68 127.21 1wxr s LEU 754 Ca 0.04 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1wxr s LEU 754 Cb -0.14 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1wxr s LEU 754 CO -0.08 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.16 1wxr n GLY 755 N 4.37 -0.72 3.62 -3.19 0.00 -0.86 -1.25 105.19 107.16 1wxr n GLY 755 Ca -0.15 -1.69 -0.58 0.00 0.00 0.00 0.00 46.02 43.60 1wxr n GLY 755 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wxr n ASN 756 N -1.64 1.20 -3.77 1.61 2.85 -1.26 -4.48 115.26 109.77 1wxr n ASN 756 Ca 0.00 1.14 -0.13 0.00 -0.11 0.00 0.00 54.58 55.48 1wxr n ASN 756 Cb 0.00 -1.04 -0.13 0.00 1.24 0.00 0.00 39.78 39.85 1wxr n ASN 756 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wxr s SER 757 N 1.39 -0.18 -0.11 1.20 0.01 -1.02 -3.40 113.70 111.59 1wxr s SER 757 Ca 0.93 0.38 0.01 0.00 1.31 0.00 0.00 55.95 58.58 1wxr s SER 757 Cb -1.18 0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.40 1wxr s SER 757 CO 0.60 -0.11 -0.12 -0.89 0.41 0.00 0.00 173.24 173.13 1wxr s THR 758 N 0.65 1.27 -0.07 1.44 2.01 -0.64 -0.87 115.64 119.43 1wxr s THR 758 Ca -0.05 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1wxr s THR 758 Cb -0.06 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1wxr s THR 758 CO -0.03 0.40 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.32 1wxr s LEU 759 N 1.23 2.27 -0.08 4.42 1.02 0.72 -0.93 118.68 127.32 1wxr s LEU 759 Ca -0.03 -0.44 -0.00 0.00 0.02 0.00 0.00 54.13 53.68 1wxr s LEU 759 Cb -0.14 -1.44 0.02 0.00 0.02 0.00 0.00 46.19 44.65 1wxr s LEU 759 CO -0.04 0.24 -0.05 -0.89 0.02 0.00 0.00 176.35 175.63 1wxr s THR 760 N -0.13 0.74 -1.66 5.49 2.01 -0.48 -2.72 115.64 118.89 1wxr s THR 760 Ca -0.04 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 1wxr s THR 760 Cb -0.14 -0.80 0.14 0.00 0.01 0.00 0.00 72.50 71.71 1wxr s THR 760 CO 0.04 0.31 0.75 -1.20 -0.69 0.00 0.00 174.62 173.83 1wxr n SER 761 N 4.76 -3.02 -3.82 3.53 7.64 -1.26 -0.99 113.62 120.45 1wxr n SER 761 Ca -0.14 -1.00 -0.27 0.00 1.01 0.00 0.00 58.87 58.48 1wxr n SER 761 Cb 0.50 -2.85 -0.17 0.00 -1.01 0.00 0.00 64.21 60.69 1wxr n SER 761 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wxr s THR 762 N -3.38 0.78 0.26 0.44 2.01 -1.26 -3.11 115.64 111.38 1wxr s THR 762 Ca 0.65 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 1wxr s THR 762 Cb -0.35 -1.03 -0.09 0.00 0.01 0.00 0.00 72.50 71.04 1wxr s THR 762 CO 0.92 0.08 1.25 0.00 -0.69 0.00 0.00 174.62 176.18 1wxr s ALA 763 N 1.78 3.48 -0.17 7.40 0.00 -1.23 -4.61 121.76 128.40 1wxr s ALA 763 Ca 0.01 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 1wxr s ALA 763 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1wxr s ALA 763 CO -0.07 -0.47 -0.09 -1.17 0.00 0.00 0.00 175.76 173.95 1wxr s LEU 764 N -1.00 2.80 -0.23 0.00 2.96 -0.92 -1.23 118.68 121.05 1wxr s LEU 764 Ca 0.51 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1wxr s LEU 764 Cb -0.36 -1.67 0.06 0.00 0.50 0.00 0.00 46.19 44.71 1wxr s LEU 764 CO 0.44 0.08 -0.09 0.20 -1.32 0.00 0.00 176.35 175.66 1wxr s ASN 765 N 0.87 3.94 -0.24 3.68 0.01 0.26 0.22 114.94 123.69 1wxr s ASN 765 Ca -0.02 -1.18 -0.10 0.00 -0.71 0.00 0.00 52.86 50.85 1wxr s ASN 765 Cb -0.15 -1.32 -0.05 0.00 0.41 0.00 0.00 41.25 40.14 1wxr s ASN 765 CO 0.00 -0.20 0.15 -0.76 -1.51 0.00 0.00 177.10 174.79 1wxr s LEU 766 N 1.29 4.04 0.58 0.60 1.43 0.15 -0.24 118.68 126.54 1wxr s LEU 766 Ca -0.06 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1wxr s LEU 766 Cb -0.19 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.03 1wxr s LEU 766 CO -0.06 0.06 0.67 0.20 0.23 0.00 0.00 176.35 177.45 1wxr s ASN 767 N 1.11 4.88 0.13 2.29 0.02 -0.59 -1.08 114.94 121.70 1wxr s ASN 767 Ca 0.07 -1.05 -0.35 0.00 -1.02 0.00 0.00 52.86 50.52 1wxr s ASN 767 Cb -0.14 0.46 -0.15 0.00 0.02 0.00 0.00 41.25 41.45 1wxr s ASN 767 CO 0.05 -1.33 1.52 1.17 0.02 0.00 0.00 177.10 178.54 1wxr n LYS 768 N -2.12 1.87 0.00 -0.60 4.81 -0.73 -0.95 118.16 120.44 1wxr n LYS 768 Ca 0.10 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1wxr n LYS 768 Cb 0.63 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1wxr n LYS 768 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wxr n GLY 769 N 3.21 1.48 3.77 3.14 0.00 -0.56 -4.96 105.19 111.27 1wxr n GLY 769 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1wxr n GLY 769 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wxr s ALA 770 N -2.37 2.77 -0.16 4.61 0.00 -0.13 -4.30 121.76 122.19 1wxr s ALA 770 Ca 0.00 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1wxr s ALA 770 Cb 0.00 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.82 1wxr s ALA 770 CO 0.00 -0.76 0.34 1.21 0.00 0.00 0.00 175.76 176.54 1wxr s ASN 771 N -1.63 0.03 0.02 0.00 3.84 0.06 -1.20 114.94 116.06 1wxr s ASN 771 Ca 0.70 0.78 0.00 0.00 0.21 0.00 0.00 52.86 54.56 1wxr s ASN 771 Cb -0.26 0.98 -0.01 0.00 -0.55 0.00 0.00 41.25 41.41 1wxr s ASN 771 CO 0.30 -0.23 -0.03 0.00 -2.79 0.00 0.00 177.10 174.34 1wxr s ALA 772 N 2.43 0.17 -0.18 1.71 0.00 -0.60 -2.96 121.76 122.33 1wxr s ALA 772 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1wxr s ALA 772 Cb -0.12 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1wxr s ALA 772 CO -0.11 -0.08 -0.09 -1.17 0.00 0.00 0.00 175.76 174.32 1wxr s LEU 773 N -1.00 2.78 -0.66 0.00 0.20 -0.60 -0.83 118.68 118.58 1wxr s LEU 773 Ca -0.10 -0.38 -0.24 0.00 0.69 0.00 0.00 54.13 54.10 1wxr s LEU 773 Cb -0.07 -1.67 0.06 0.00 -0.43 0.00 0.00 46.19 44.07 1wxr s LEU 773 CO -0.00 0.05 1.03 0.00 -0.29 0.00 0.00 176.35 177.14 1wxr s ALA 774 N 1.02 3.04 -0.92 5.97 0.00 0.04 -0.87 121.76 130.05 1wxr s ALA 774 Ca -0.00 -1.63 0.28 0.00 0.00 0.00 0.00 51.96 50.61 1wxr s ALA 774 Cb -0.15 -3.93 1.10 0.00 0.00 0.00 0.00 23.12 20.15 1wxr s ALA 774 CO -0.01 -2.82 1.87 -1.13 0.00 0.00 0.00 175.76 173.67 1wxr n SER 775 N 8.03 0.23 0.00 0.00 3.41 -0.38 -1.14 113.62 123.78 1wxr n SER 775 Ca -0.01 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1wxr n SER 775 Cb 0.47 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1wxr n SER 775 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wxr n GLN 776 N -1.72 1.27 -2.33 4.33 6.02 -1.26 -4.76 117.38 118.93 1wxr n GLN 776 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 1wxr n GLN 776 Cb 0.36 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.61 1wxr n GLN 776 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1wxr s SER 777 N 1.00 5.91 -0.12 1.08 0.01 -1.26 -4.70 113.70 115.62 1wxr s SER 777 Ca 0.00 2.07 -0.02 0.00 1.31 0.00 0.00 55.95 59.30 1wxr s SER 777 Cb 0.00 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.70 1wxr s SER 777 CO 0.00 -1.08 0.03 0.12 0.41 0.00 0.00 173.24 172.72 1wxr s PHE 778 N -1.90 0.63 -0.31 2.43 5.36 -0.12 -2.44 117.98 121.64 1wxr s PHE 778 Ca 0.70 -0.36 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 1wxr s PHE 778 Cb -0.21 -0.82 0.09 0.00 -0.34 0.00 0.00 43.02 41.75 1wxr s PHE 778 CO 0.25 -0.43 0.05 0.08 -1.46 0.00 0.00 175.22 173.71 1wxr s VAL 779 N 1.99 1.61 0.22 3.12 1.01 -0.05 -0.22 120.40 128.07 1wxr s VAL 779 Ca 0.03 -1.78 0.10 0.00 0.00 0.00 0.00 61.98 60.32 1wxr s VAL 779 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1wxr s VAL 779 CO -0.06 -0.54 -0.11 -0.55 0.00 0.00 0.00 175.10 173.83 1wxr s SER 780 N 1.26 4.10 0.00 3.32 0.15 0.13 -0.20 113.70 122.45 1wxr s SER 780 Ca 0.08 -0.70 0.05 0.00 0.70 0.00 0.00 55.95 56.07 1wxr s SER 780 Cb -0.18 -0.62 0.14 0.00 -1.71 0.00 0.00 66.02 63.65 1wxr s SER 780 CO -0.14 0.07 1.11 -0.90 1.20 0.00 0.00 173.24 174.58 1wxr n ASP 781 N -0.23 2.41 -1.59 5.45 3.85 -1.10 -3.46 116.55 121.87 1wxr n ASP 781 Ca -0.09 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.01 1wxr n ASP 781 Cb 0.57 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 40.23 1wxr n ASP 781 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wxr n GLY 782 N -0.02 4.64 3.84 6.12 0.00 -1.26 -4.24 105.19 114.26 1wxr n GLY 782 Ca 0.05 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1wxr n GLY 782 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wxr s PRO 783 N -1.58 3.91 -0.16 1.61 0.04 -1.26 -0.66 135.00 136.90 1wxr s PRO 783 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1wxr s PRO 783 Cb 0.00 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1wxr s PRO 783 CO 0.00 -0.31 -0.15 0.08 0.04 0.00 0.00 177.00 176.67 1wxr s VAL 784 N -2.60 1.65 -0.27 -0.36 1.01 -0.55 -2.17 120.40 117.10 1wxr s VAL 784 Ca 0.59 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1wxr s VAL 784 Cb -0.10 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1wxr s VAL 784 CO 0.31 0.44 0.03 0.20 0.00 0.00 0.00 175.10 176.09 1wxr s ASN 785 N 1.45 4.85 -0.26 3.32 0.01 0.13 -0.29 114.94 124.15 1wxr s ASN 785 Ca 0.04 -0.63 -0.06 0.00 -0.71 0.00 0.00 52.86 51.50 1wxr s ASN 785 Cb -0.13 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.70 1wxr s ASN 785 CO -0.11 -0.14 0.04 -0.63 -1.51 0.00 0.00 177.10 174.75 1wxr s ILE 786 N 1.48 3.82 -0.32 0.60 1.01 0.48 0.35 121.20 128.62 1wxr s ILE 786 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1wxr s ILE 786 Cb -0.16 -2.86 0.10 0.00 0.01 0.00 0.00 42.46 39.55 1wxr s ILE 786 CO 0.00 0.24 0.11 -0.55 0.00 0.00 0.00 174.94 174.75 1wxr s SER 787 N 1.51 3.95 -1.43 3.58 0.15 -0.25 -1.35 113.70 119.87 1wxr s SER 787 Ca 0.04 -1.71 -0.10 0.00 0.70 0.00 0.00 55.95 54.89 1wxr s SER 787 Cb -0.16 -0.84 0.03 0.00 -1.71 0.00 0.00 66.02 63.35 1wxr s SER 787 CO 0.01 -0.40 1.03 0.47 1.20 0.00 0.00 173.24 175.54 1wxr n ASP 788 N 4.75 -5.87 -3.81 5.45 10.43 -0.36 -1.77 116.55 125.36 1wxr n ASP 788 Ca -0.01 -0.56 -0.12 0.00 2.57 0.00 0.00 54.79 56.67 1wxr n ASP 788 Cb 0.41 -4.65 -0.06 0.00 1.84 0.00 0.00 41.12 38.66 1wxr n ASP 788 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wxr s ALA 789 N -3.28 0.41 -0.03 2.24 0.00 -1.25 -1.49 121.76 118.35 1wxr s ALA 789 Ca 0.56 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1wxr s ALA 789 Cb -0.26 1.17 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1wxr s ALA 789 CO 0.70 -0.77 -0.22 0.99 0.00 0.00 0.00 175.76 176.45 1wxr s THR 790 N -3.76 1.80 -0.13 0.00 2.01 -0.34 -1.50 115.64 113.73 1wxr s THR 790 Ca 0.29 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1wxr s THR 790 Cb 0.01 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1wxr s THR 790 CO 0.13 0.51 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.23 1wxr s LEU 791 N -0.31 1.52 -0.08 4.42 2.96 -0.94 -1.55 118.68 124.70 1wxr s LEU 791 Ca 0.03 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1wxr s LEU 791 Cb -0.11 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 1wxr s LEU 791 CO 0.01 -0.06 0.03 -0.44 -1.32 0.00 0.00 176.35 174.57 1wxr s SER 792 N 1.44 5.47 -0.19 3.68 0.01 -0.01 -1.21 113.70 122.88 1wxr s SER 792 Ca 0.02 0.20 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 1wxr s SER 792 Cb -0.13 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 1wxr s SER 792 CO -0.08 0.37 -0.03 -0.76 0.41 0.00 0.00 173.24 173.16 1wxr s LEU 793 N -0.99 3.09 0.00 2.44 1.02 0.38 -0.78 118.68 123.84 1wxr s LEU 793 Ca 0.14 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.03 1wxr s LEU 793 Cb -0.11 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.32 1wxr s LEU 793 CO 0.04 0.06 0.00 -3.20 0.02 0.00 0.00 176.35 173.27 1wxr n ASN 794 N 4.26 0.00 -3.74 2.29 5.15 -0.29 -0.41 115.26 122.52 1wxr n ASN 794 Ca -0.18 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.67 1wxr n ASN 794 Cb 0.52 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.67 1wxr n ASN 794 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wxr s SER 795 N 0.00 -0.32 0.39 1.20 0.15 -1.26 -4.85 113.70 109.01 1wxr s SER 795 Ca 0.00 0.48 -0.24 0.00 0.70 0.00 0.00 55.95 56.88 1wxr s SER 795 Cb 0.00 0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 64.79 1wxr s SER 795 CO 0.00 -0.29 1.07 -0.13 1.20 0.00 0.00 173.24 175.09 1wxr s ARG 796 N -0.51 4.16 0.49 5.44 0.52 -1.26 -4.21 118.95 123.57 1wxr s ARG 796 Ca -0.06 1.58 0.17 0.00 -0.52 0.00 0.00 55.73 56.90 1wxr s ARG 796 Cb -0.04 -2.59 1.18 0.00 0.52 0.00 0.00 34.95 34.02 1wxr s ARG 796 CO 0.03 -0.16 2.07 -1.00 0.02 0.00 0.00 175.30 176.25 1wxr h PRO 797 N 2.58 0.00 -0.68 3.54 0.13 -1.98 -2.82 132.00 132.77 1wxr h PRO 797 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wxr h PRO 797 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wxr h PRO 797 CO 0.62 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.25 1wxr n ASP 798 N -4.31 3.77 -3.96 1.44 9.92 -1.26 -4.87 116.55 117.28 1wxr n ASP 798 Ca -0.03 -2.06 -0.20 0.00 -0.53 0.00 0.00 54.79 51.97 1wxr n ASP 798 Cb 0.18 -0.47 -0.16 0.00 -0.64 0.00 0.00 41.12 40.03 1wxr n ASP 798 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1wxr s GLU 799 N -1.19 0.94 -0.15 -1.24 2.02 -1.07 -5.13 118.70 112.89 1wxr s GLU 799 Ca 0.46 -0.23 -0.03 0.00 0.02 0.00 0.00 54.97 55.20 1wxr s GLU 799 Cb 0.25 -0.89 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 1wxr s GLU 799 CO 0.30 0.03 -0.06 0.08 0.02 0.00 0.00 175.26 175.62 1wxr s VAL 800 N 0.51 3.66 0.14 2.63 1.01 -1.26 -4.61 120.40 122.48 1wxr s VAL 800 Ca -0.08 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1wxr s VAL 800 Cb -0.11 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1wxr s VAL 800 CO 0.01 0.50 -0.14 -0.55 0.00 0.00 0.00 175.10 174.92 1wxr s SER 801 N 0.33 4.10 -0.10 3.32 0.15 -1.26 -5.02 113.70 115.21 1wxr s SER 801 Ca -0.06 -0.54 0.14 0.00 0.70 0.00 0.00 55.95 56.19 1wxr s SER 801 Cb -0.15 -0.65 0.25 0.00 -1.71 0.00 0.00 66.02 63.76 1wxr s SER 801 CO 0.04 0.15 1.15 1.41 1.20 0.00 0.00 173.24 177.18 1wxr n HIS 802 N 0.50 0.11 -1.93 3.44 8.25 -1.26 -1.11 115.22 123.22 1wxr n HIS 802 Ca -0.13 -0.85 0.05 0.00 -0.26 0.00 0.00 57.72 56.52 1wxr n HIS 802 Cb 0.54 -0.14 0.14 0.00 1.12 0.00 0.00 29.99 31.65 1wxr n HIS 802 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wxr n THR 803 N -1.06 1.44 -1.79 1.59 -2.24 -1.21 -3.22 114.28 107.79 1wxr n THR 803 Ca 0.13 -2.48 -0.33 0.00 -2.27 0.00 0.00 64.05 59.10 1wxr n THR 803 Cb 0.57 0.19 0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1wxr n THR 803 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wxr s LEU 804 N -2.12 3.38 0.10 3.22 1.02 -1.00 -4.35 118.68 118.93 1wxr s LEU 804 Ca 0.37 1.90 0.09 0.00 0.02 0.00 0.00 54.13 56.51 1wxr s LEU 804 Cb 0.38 -4.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.01 1wxr s LEU 804 CO -0.10 -1.51 -0.22 -0.76 0.02 0.00 0.00 176.35 173.78 1wxr s LEU 805 N -4.88 2.28 0.09 1.79 1.02 -1.26 -1.00 118.68 116.72 1wxr s LEU 805 Ca 0.65 -0.68 -0.31 0.00 0.02 0.00 0.00 54.13 53.81 1wxr s LEU 805 Cb -0.18 -0.99 -0.07 0.00 0.02 0.00 0.00 46.19 44.97 1wxr s LEU 805 CO 0.42 0.11 1.40 -2.16 0.02 0.00 0.00 176.35 176.14 1wxr s PRO 806 N -1.82 4.31 0.29 1.29 0.04 -1.26 -4.88 135.00 132.96 1wxr s PRO 806 Ca 0.08 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1wxr s PRO 806 Cb -0.10 -3.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1wxr s PRO 806 CO 0.04 -0.48 -0.08 0.14 0.04 0.00 0.00 177.00 176.67 1wxr s VAL 807 N 1.45 1.80 -0.12 -0.36 -7.23 -0.32 -4.96 120.40 110.66 1wxr s VAL 807 Ca 0.65 -2.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 1wxr s VAL 807 Cb -0.36 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 1wxr s VAL 807 CO 0.29 -0.31 0.09 -0.31 -0.31 0.00 0.00 175.10 174.56 1wxr s TYR 808 N -2.91 3.44 -0.30 2.82 2.02 -1.26 -1.45 117.35 119.70 1wxr s TYR 808 Ca 0.30 0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 57.38 1wxr s TYR 808 Cb 0.03 -1.91 0.10 0.00 -0.40 0.00 0.00 41.96 39.78 1wxr s TYR 808 CO 0.12 0.61 0.09 -0.51 -1.57 0.00 0.00 175.55 174.29 1wxr s ASP 809 N -0.86 4.02 -0.10 2.29 1.01 0.35 -0.94 116.67 122.44 1wxr s ASP 809 Ca 0.14 -1.62 0.03 0.00 0.71 0.00 0.00 52.55 51.81 1wxr s ASP 809 Cb -0.12 -0.91 -0.00 0.00 1.01 0.00 0.00 42.92 42.90 1wxr s ASP 809 CO 0.03 -0.40 -0.23 -0.31 0.21 0.00 0.00 175.17 174.47 1wxr s TYR 810 N 1.57 2.59 0.09 4.23 1.51 0.69 -1.26 117.35 126.77 1wxr s TYR 810 Ca 0.09 -1.00 -0.03 0.00 -1.01 0.00 0.00 57.07 55.12 1wxr s TYR 810 Cb -0.17 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1wxr s TYR 810 CO -0.23 -0.39 0.06 0.00 -1.11 0.00 0.00 175.55 173.88 1wxr s ALA 811 N 0.34 0.46 -0.00 3.71 0.00 -0.95 0.17 121.76 125.49 1wxr s ALA 811 Ca -0.18 -1.17 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 1wxr s ALA 811 Cb -0.18 0.55 -0.18 0.00 0.00 0.00 0.00 23.12 23.30 1wxr s ALA 811 CO 0.09 -0.45 1.32 0.78 0.00 0.00 0.00 175.76 177.49 1wxr h GLY 812 N 2.94 0.09 -3.28 0.00 0.00 -1.01 -3.28 103.07 98.52 1wxr h GLY 812 Ca -0.34 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1wxr h GLY 812 CO 0.61 0.07 -0.52 -1.35 0.00 0.00 0.00 176.54 175.35 1wxr s SER 813 N -5.75 0.29 -0.17 0.19 1.04 -1.23 -2.69 113.70 105.39 1wxr s SER 813 Ca -0.15 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.49 1wxr s SER 813 Cb 0.03 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.44 1wxr s SER 813 CO 0.69 -0.65 -0.16 0.26 0.98 0.00 0.00 173.24 174.36 1wxr s TRP 814 N -3.76 2.48 -0.23 5.02 0.52 0.20 -1.48 118.94 121.69 1wxr s TRP 814 Ca 0.05 -1.48 0.01 0.00 0.02 0.00 0.00 56.10 54.69 1wxr s TRP 814 Cb 0.06 -1.74 0.06 0.00 -1.15 0.00 0.00 33.47 30.69 1wxr s TRP 814 CO -0.10 -0.74 -0.06 -0.80 0.02 0.00 0.00 176.95 175.27 1wxr s ASN 815 N 1.38 3.75 -0.01 2.95 0.01 0.60 -0.55 114.94 123.08 1wxr s ASN 815 Ca 0.04 -1.12 -0.01 0.00 -0.71 0.00 0.00 52.86 51.05 1wxr s ASN 815 Cb -0.14 -1.16 -0.04 0.00 0.41 0.00 0.00 41.25 40.33 1wxr s ASN 815 CO -0.11 -0.23 0.08 -0.76 -1.51 0.00 0.00 177.10 174.57 1wxr s LEU 816 N 1.42 3.91 0.01 0.60 1.43 0.58 -0.39 118.68 126.24 1wxr s LEU 816 Ca -0.05 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1wxr s LEU 816 Cb -0.18 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1wxr s LEU 816 CO -0.06 0.28 -0.02 -0.54 0.23 0.00 0.00 176.35 176.24 1wxr s LYS 817 N -1.67 0.21 0.00 1.70 1.02 -0.46 -0.70 119.74 119.84 1wxr s LYS 817 Ca 0.22 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1wxr s LYS 817 Cb -0.12 -0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.19 1wxr s LYS 817 CO 0.13 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1wxr n GLY 818 N 2.30 1.26 0.24 -3.33 0.00 -0.95 -1.23 105.19 103.48 1wxr n GLY 818 Ca -0.18 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.36 1wxr n GLY 818 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wxr h ASP 819 N 0.00 0.00 -0.24 1.61 3.32 -1.84 -2.73 116.42 116.54 1wxr h ASP 819 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wxr h ASP 819 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wxr h ASP 819 CO 0.00 0.15 0.00 0.47 -1.72 0.00 0.00 179.24 178.14 1wxr n ASP 820 N -3.28 2.18 -4.74 6.45 10.43 -1.26 -4.14 116.55 122.19 1wxr n ASP 820 Ca 0.01 -1.81 -0.41 0.00 2.57 0.00 0.00 54.79 55.15 1wxr n ASP 820 Cb 0.41 -0.15 -0.04 0.00 1.84 0.00 0.00 41.12 43.17 1wxr n ASP 820 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wxr s ALA 821 N -1.69 3.34 -0.03 2.24 0.00 -1.03 -3.93 121.76 120.65 1wxr s ALA 821 Ca 0.33 0.74 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1wxr s ALA 821 Cb 0.19 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1wxr s ALA 821 CO 0.27 -0.11 -0.02 1.03 0.00 0.00 0.00 175.76 176.94 1wxr s ARG 822 N -0.46 0.42 -0.23 0.00 1.81 -0.56 -1.61 118.95 118.31 1wxr s ARG 822 Ca 0.47 -0.00 -0.00 0.00 -1.72 0.00 0.00 55.73 54.48 1wxr s ARG 822 Cb -0.28 -0.53 0.03 0.00 -0.45 0.00 0.00 34.95 33.72 1wxr s ARG 822 CO 0.34 -0.09 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.59 1wxr s LEU 823 N 0.81 2.96 -0.30 2.53 2.96 -0.61 -2.20 118.68 124.83 1wxr s LEU 823 Ca -0.09 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 52.87 1wxr s LEU 823 Cb -0.12 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 45.01 1wxr s LEU 823 CO -0.01 -0.10 0.03 0.20 -1.32 0.00 0.00 176.35 175.14 1wxr s ASN 824 N 1.27 4.93 -0.41 3.68 0.02 -0.35 -1.28 114.94 122.81 1wxr s ASN 824 Ca -0.00 -1.07 -0.11 0.00 -1.02 0.00 0.00 52.86 50.66 1wxr s ASN 824 Cb -0.16 -1.77 0.06 0.00 0.02 0.00 0.00 41.25 39.39 1wxr s ASN 824 CO -0.07 -0.24 0.25 0.54 0.02 0.00 0.00 177.10 177.60 1wxr s VAL 825 N 1.35 4.49 1.05 1.60 0.11 0.95 -0.47 120.40 129.47 1wxr s VAL 825 Ca -0.02 -1.14 -0.12 0.00 -2.93 0.00 0.00 61.98 57.77 1wxr s VAL 825 Cb -0.19 -3.64 0.22 0.00 -1.53 0.00 0.00 36.38 31.24 1wxr s VAL 825 CO -0.00 -0.41 1.07 -0.83 -3.33 0.00 0.00 175.10 171.60 1wxr s GLY 826 N 1.94 1.59 0.80 6.54 0.00 0.45 -0.44 107.32 118.20 1wxr s GLY 826 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.62 1wxr s GLY 826 CO 0.04 0.60 1.15 2.56 0.00 0.00 0.00 173.10 177.46 1wxr s PRO 827 N -4.65 1.81 -1.36 2.90 0.04 -1.26 -3.72 135.00 128.76 1wxr s PRO 827 Ca 0.67 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1wxr s PRO 827 Cb -0.22 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1wxr s PRO 827 CO 0.61 -2.04 0.38 0.66 0.04 0.00 0.00 177.00 176.66 1wxr n TYR 828 N -3.41 -1.45 -3.98 0.56 4.01 0.17 -4.87 117.16 108.19 1wxr n TYR 828 Ca 0.12 0.33 -0.35 0.00 -0.16 0.00 0.00 57.90 57.83 1wxr n TYR 828 Cb 0.52 -3.84 -0.13 0.00 -0.31 0.00 0.00 39.34 35.57 1wxr n TYR 828 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1wxr s SER 829 N -2.62 4.51 -0.78 7.72 0.15 -1.24 -1.17 113.70 120.26 1wxr s SER 829 Ca 0.19 -0.32 -0.26 0.00 0.70 0.00 0.00 55.95 56.26 1wxr s SER 829 Cb -0.08 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 1wxr s SER 829 CO 0.23 0.01 1.46 -0.04 1.20 0.00 0.00 173.24 176.10 1wxr s MET 830 N 1.32 3.13 0.27 5.44 -1.94 -0.53 -3.21 119.30 123.79 1wxr s MET 830 Ca 0.04 -0.27 -0.18 0.00 -1.71 0.00 0.00 55.69 53.57 1wxr s MET 830 Cb -0.14 -4.51 -0.09 0.00 2.01 0.00 0.00 34.83 32.10 1wxr s MET 830 CO -0.01 -2.34 0.74 -1.17 -0.01 0.00 0.00 175.02 172.23 1wxr s LEU 831 N 6.44 4.21 -0.11 -0.03 0.20 0.42 -0.49 118.68 129.33 1wxr s LEU 831 Ca 0.45 1.38 -0.18 0.00 0.69 0.00 0.00 54.13 56.47 1wxr s LEU 831 Cb -0.07 -3.84 0.04 0.00 -0.43 0.00 0.00 46.19 41.89 1wxr s LEU 831 CO 0.10 -0.08 0.46 -0.55 -0.29 0.00 0.00 176.35 175.98 1wxr s SER 832 N -1.93 -0.43 0.00 3.68 0.15 -0.39 -2.73 113.70 112.05 1wxr s SER 832 Ca 0.48 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1wxr s SER 832 Cb -0.14 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1wxr s SER 832 CO 0.19 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1wxr n GLY 833 N 2.09 2.54 3.83 9.45 0.00 -0.25 -2.23 105.19 120.61 1wxr n GLY 833 Ca -0.17 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 1wxr n GLY 833 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wxr s ASN 834 N 0.00 6.75 -0.17 1.61 0.01 -1.10 -4.38 114.94 117.67 1wxr s ASN 834 Ca 0.00 1.63 -0.01 0.00 -0.71 0.00 0.00 52.86 53.77 1wxr s ASN 834 Cb 0.00 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.13 1wxr s ASN 834 CO 0.00 -0.50 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.36 1wxr s ILE 835 N -2.41 3.05 -0.05 0.60 1.01 -0.69 0.60 121.20 123.31 1wxr s ILE 835 Ca 0.61 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1wxr s ILE 835 Cb -0.10 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1wxr s ILE 835 CO 0.23 0.49 -0.24 0.20 0.00 0.00 0.00 174.94 175.62 1wxr s ASN 836 N 0.88 2.89 -0.05 3.58 0.01 0.29 -1.06 114.94 121.48 1wxr s ASN 836 Ca -0.03 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1wxr s ASN 836 Cb -0.15 -0.77 0.02 0.00 0.41 0.00 0.00 41.25 40.76 1wxr s ASN 836 CO 0.00 0.23 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.11 1wxr s VAL 837 N -0.15 0.44 -0.15 1.60 1.01 -0.23 -0.31 120.40 122.62 1wxr s VAL 837 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1wxr s VAL 837 Cb -0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1wxr s VAL 837 CO 0.03 0.23 -0.10 -1.58 0.00 0.00 0.00 175.10 173.68 1wxr s GLN 838 N 1.29 3.44 1.45 2.72 0.74 0.12 -4.38 119.66 125.04 1wxr s GLN 838 Ca -0.05 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.71 1wxr s GLN 838 Cb -0.13 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1wxr s GLN 838 CO -0.02 0.16 0.00 -0.25 -0.55 0.00 0.00 175.29 174.63 1wxr n ASP 839 N 3.69 -0.48 -2.43 6.67 8.00 -1.26 -2.24 116.55 128.49 1wxr n ASP 839 Ca -0.18 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.04 1wxr n ASP 839 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1wxr n ASP 839 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wxr n LYS 840 N -0.13 2.37 -1.45 -1.24 5.02 -1.25 -3.79 118.16 117.69 1wxr n LYS 840 Ca 0.00 -2.49 -0.29 0.00 -2.02 0.00 0.00 58.31 53.51 1wxr n LYS 840 Cb 0.00 -2.08 0.15 0.00 -0.02 0.00 0.00 35.03 33.09 1wxr n LYS 840 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wxr s GLY 841 N -0.14 1.58 -0.01 0.72 0.00 -1.24 -4.67 107.32 103.56 1wxr s GLY 841 Ca 0.53 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.70 1wxr s GLY 841 CO -0.20 0.04 -0.06 -0.51 0.00 0.00 0.00 173.10 172.37 1wxr s THR 842 N -3.23 0.52 -0.16 0.90 -4.23 -0.64 -2.11 115.64 106.70 1wxr s THR 842 Ca 0.65 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1wxr s THR 842 Cb -0.15 -0.47 0.01 0.00 1.34 0.00 0.00 72.50 73.24 1wxr s THR 842 CO 0.54 0.17 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.91 1wxr s VAL 843 N 0.10 2.27 -0.11 2.29 1.01 -0.72 -1.58 120.40 123.66 1wxr s VAL 843 Ca -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1wxr s VAL 843 Cb -0.06 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1wxr s VAL 843 CO -0.00 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.56 1wxr s THR 844 N 1.05 1.69 -0.16 3.92 2.01 -0.40 -0.35 115.64 123.40 1wxr s THR 844 Ca -0.01 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 1wxr s THR 844 Cb -0.14 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1wxr s THR 844 CO -0.06 0.48 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.54 1wxr s LEU 845 N 0.87 3.13 0.00 4.42 1.43 -0.04 -0.03 118.68 128.45 1wxr s LEU 845 Ca -0.08 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1wxr s LEU 845 Cb -0.15 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1wxr s LEU 845 CO -0.01 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1wxr n GLY 846 N 3.66 2.19 0.00 -3.19 0.00 0.42 -2.03 105.19 106.23 1wxr n GLY 846 Ca -0.18 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1wxr n GLY 846 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wxr n GLY 847 N 1.58 0.89 3.77 -0.02 0.00 -1.26 -4.67 105.19 105.47 1wxr n GLY 847 Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1wxr n GLY 847 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wxr s GLU 848 N -2.00 3.98 0.00 1.61 2.02 -1.26 -4.46 118.70 118.59 1wxr s GLU 848 Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1wxr s GLU 848 Cb 0.00 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1wxr s GLU 848 CO 0.00 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1wxr n GLY 849 N 0.67 3.88 3.09 -1.39 0.00 -1.26 -4.54 105.19 105.64 1wxr n GLY 849 Ca 0.04 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1wxr n GLY 849 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wxr s GLU 850 N -2.64 0.60 0.30 1.61 0.41 -0.27 -5.00 118.70 113.72 1wxr s GLU 850 Ca 0.00 -0.88 -0.29 0.00 -0.41 0.00 0.00 54.97 53.39 1wxr s GLU 850 Cb 0.00 -0.31 -0.10 0.00 -1.78 0.00 0.00 34.13 31.94 1wxr s GLU 850 CO 0.00 0.04 1.20 -0.51 -0.49 0.00 0.00 175.26 175.51 1wxr s LEU 851 N -1.87 4.49 0.43 1.80 1.43 -1.26 -2.37 118.68 121.33 1wxr s LEU 851 Ca -0.05 2.47 -0.21 0.00 -1.03 0.00 0.00 54.13 55.31 1wxr s LEU 851 Cb -0.07 -3.64 -0.14 0.00 0.03 0.00 0.00 46.19 42.37 1wxr s LEU 851 CO -0.00 -0.33 0.29 -0.24 0.23 0.00 0.00 176.35 176.29 1wxr n SER 852 N 1.01 -1.99 0.26 2.29 2.88 -0.17 -4.68 113.62 113.22 1wxr n SER 852 Ca -0.01 0.84 0.15 0.00 -1.33 0.00 0.00 58.87 58.53 1wxr n SER 852 Cb 0.43 -0.99 0.55 0.00 -0.75 0.00 0.00 64.21 63.45 1wxr n SER 852 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1wxr h PRO 853 N 0.49 0.00 -1.63 -1.46 0.13 -1.91 -3.38 132.00 124.24 1wxr h PRO 853 Ca -0.39 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.01 1wxr h PRO 853 Cb 1.42 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.27 1wxr h PRO 853 CO 0.48 0.02 0.97 -0.25 -0.23 0.00 0.00 178.00 179.00 1wxr n ASP 854 N -3.12 7.55 -4.74 1.44 10.43 -1.26 -5.01 116.55 121.83 1wxr n ASP 854 Ca 0.01 -3.82 -0.41 0.00 2.57 0.00 0.00 54.79 53.15 1wxr n ASP 854 Cb 0.37 -1.03 -0.04 0.00 1.84 0.00 0.00 41.12 42.26 1wxr n ASP 854 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1wxr s LEU 855 N -3.98 4.51 0.98 0.64 1.43 -1.26 -5.03 118.68 115.97 1wxr s LEU 855 Ca 0.57 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.65 1wxr s LEU 855 Cb 0.46 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 43.25 1wxr s LEU 855 CO -0.27 -0.17 1.09 0.42 0.23 0.00 0.00 176.35 177.65 1wxr s THR 856 N -0.47 2.33 0.32 5.49 -4.23 -1.26 -4.75 115.64 113.06 1wxr s THR 856 Ca 0.48 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1wxr s THR 856 Cb -0.29 -2.33 0.28 0.00 1.34 0.00 0.00 72.50 71.49 1wxr s THR 856 CO 0.36 -0.14 1.94 0.25 -0.54 0.00 0.00 174.62 176.49 1wxr h LEU 857 N -1.95 0.83 -0.72 4.79 5.85 -1.99 0.42 115.31 122.54 1wxr h LEU 857 Ca -0.51 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.07 1wxr h LEU 857 Cb 1.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1wxr h LEU 857 CO 0.49 0.56 -0.52 0.06 -0.34 0.00 0.00 178.44 178.69 1wxr h GLN 858 N 0.96 0.31 -0.17 1.25 -0.00 -1.99 -0.81 115.11 114.65 1wxr h GLN 858 Ca 0.34 -0.18 -0.12 0.00 -0.00 0.00 0.00 58.65 58.69 1wxr h GLN 858 Cb 0.13 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.61 1wxr h GLN 858 CO -0.11 0.76 -0.40 -0.91 -0.00 0.00 0.00 178.83 178.17 1wxr h ASN 859 N 0.24 0.42 -0.72 0.06 2.35 -1.65 -2.00 115.58 114.28 1wxr h ASN 859 Ca 0.01 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.53 1wxr h ASN 859 Cb 1.00 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.22 1wxr h ASN 859 CO 0.08 0.78 0.26 1.56 -1.65 0.00 0.00 177.43 178.46 1wxr h GLN 860 N 0.33 1.09 -0.52 0.81 4.20 -0.55 -0.68 115.11 119.80 1wxr h GLN 860 Ca 0.03 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 1wxr h GLN 860 Cb 0.85 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1wxr h GLN 860 CO 0.07 0.91 0.02 0.52 -0.67 0.00 0.00 178.83 179.68 1wxr h MET 861 N 1.04 0.91 -0.15 1.46 2.86 -1.05 -0.56 114.93 119.45 1wxr h MET 861 Ca 0.24 -0.28 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1wxr h MET 861 Cb 0.25 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1wxr h MET 861 CO -0.01 0.92 -0.37 1.25 1.06 0.00 0.00 176.91 179.75 1wxr h LEU 862 N 0.78 0.32 -0.25 1.22 5.85 -1.34 -2.36 115.31 119.53 1wxr h LEU 862 Ca 0.15 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1wxr h LEU 862 Cb 0.50 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1wxr h LEU 862 CO 0.02 0.67 0.08 0.22 -0.34 0.00 0.00 178.44 179.09 1wxr h TYR 863 N 0.26 0.14 -0.99 1.25 3.20 -0.74 -2.73 116.97 117.36 1wxr h TYR 863 Ca 0.03 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.06 1wxr h TYR 863 Cb 0.78 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.93 1wxr h TYR 863 CO 0.02 0.06 0.61 0.77 -1.64 0.00 0.00 178.16 177.98 1wxr h SER 864 N 0.19 0.85 0.59 -2.11 0.02 -0.78 -1.44 113.55 110.88 1wxr h SER 864 Ca 0.11 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1wxr h SER 864 Cb 0.09 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1wxr h SER 864 CO -0.12 0.40 0.00 0.18 -1.14 0.00 0.00 176.83 176.14 1wxr n LEU 865 N -4.69 0.47 0.19 5.07 4.77 -0.92 -0.98 117.00 120.91 1wxr n LEU 865 Ca 0.20 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.95 1wxr n LEU 865 Cb 0.44 -0.57 0.63 0.00 -2.33 0.00 0.00 43.42 41.59 1wxr n LEU 865 CO 0.25 -0.51 0.91 -0.26 -1.33 0.00 0.00 177.39 176.45 1wxr h PHE 866 N 0.00 0.00 -4.18 -1.77 0.04 -1.22 -3.47 116.94 106.35 1wxr h PHE 866 Ca 0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 1wxr h PHE 866 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1wxr h PHE 866 CO 0.00 0.00 -0.49 -1.71 -0.60 0.00 0.00 178.31 175.51 1wxr n ASN 867 N -2.50 -4.86 0.00 2.17 4.05 -0.15 -1.53 115.26 112.45 1wxr n ASN 867 Ca 0.00 -0.10 0.00 0.00 0.45 0.00 0.00 54.58 54.94 1wxr n ASN 867 Cb 0.18 -4.02 0.00 0.00 1.23 0.00 0.00 39.78 37.17 1wxr n ASN 867 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wxr n GLY 868 N -1.11 1.46 3.84 8.20 0.00 -1.26 -1.26 105.19 115.05 1wxr n GLY 868 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1wxr n GLY 868 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wxr s TYR 869 N -2.38 3.39 -0.00 1.61 2.02 -0.58 -4.78 117.35 116.62 1wxr s TYR 869 Ca 0.00 1.46 0.04 0.00 -0.37 0.00 0.00 57.07 58.20 1wxr s TYR 869 Cb 0.00 -2.82 -0.25 0.00 -0.40 0.00 0.00 41.96 38.49 1wxr s TYR 869 CO 0.00 -0.51 0.83 0.00 -1.57 0.00 0.00 175.55 174.29 1wxr h ARG 870 N 0.75 0.12 -4.58 -0.62 3.08 -1.27 -3.46 114.38 108.40 1wxr h ARG 870 Ca -0.47 -0.21 -0.35 0.00 0.07 0.00 0.00 59.98 59.03 1wxr h ARG 870 Cb 1.19 0.08 -0.27 0.00 0.08 0.00 0.00 29.97 31.05 1wxr h ARG 870 CO 0.61 0.89 -0.76 -0.80 -1.07 0.00 0.00 179.97 178.84 1wxr s ASN 871 N -6.64 0.90 -0.09 7.04 -0.87 -1.12 0.41 114.94 114.58 1wxr s ASN 871 Ca -0.07 -0.23 0.04 0.00 -1.57 0.00 0.00 52.86 51.03 1wxr s ASN 871 Cb 0.08 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.24 1wxr s ASN 871 CO 0.83 0.03 -0.22 -0.63 -2.57 0.00 0.00 177.10 174.53 1wxr s ILE 872 N -0.45 1.91 -0.06 0.60 -1.09 -1.20 -1.00 121.20 119.91 1wxr s ILE 872 Ca 0.00 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 1wxr s ILE 872 Cb -0.04 -1.65 0.02 0.00 -1.58 0.00 0.00 42.46 39.20 1wxr s ILE 872 CO 0.00 0.53 -0.08 0.86 -1.23 0.00 0.00 174.94 175.01 1wxr s TRP 873 N 0.30 1.13 -0.24 3.97 -0.00 -0.56 -0.43 118.94 123.10 1wxr s TRP 873 Ca -0.16 -0.40 -0.04 0.00 -0.00 0.00 0.00 56.10 55.51 1wxr s TRP 873 Cb -0.17 -0.89 0.00 0.00 -0.00 0.00 0.00 33.47 32.41 1wxr s TRP 873 CO 0.07 -0.25 -0.03 -1.12 -0.00 0.00 0.00 176.95 175.62 1wxr s SER 874 N 0.86 4.41 0.00 5.86 0.01 -1.11 0.39 113.70 124.14 1wxr s SER 874 Ca -0.11 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1wxr s SER 874 Cb -0.15 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1wxr s SER 874 CO 0.01 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1wxr n GLY 875 N 4.77 2.19 3.97 3.44 0.00 -0.50 -1.09 105.19 117.97 1wxr n GLY 875 Ca -0.17 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 1wxr n GLY 875 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxr s SER 876 N 0.00 6.22 -0.05 1.61 1.04 -1.26 -2.76 113.70 118.50 1wxr s SER 876 Ca 0.00 0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.56 1wxr s SER 876 Cb 0.00 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.38 1wxr s SER 876 CO 0.00 -0.21 -0.16 -0.22 0.98 0.00 0.00 173.24 173.63 1wxr s LEU 877 N -4.11 1.84 -0.40 2.42 0.20 -1.26 -1.70 118.68 115.67 1wxr s LEU 877 Ca 0.38 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.87 1wxr s LEU 877 Cb -0.09 -0.93 0.14 0.00 -0.43 0.00 0.00 46.19 44.87 1wxr s LEU 877 CO 0.31 0.11 0.22 0.20 -0.29 0.00 0.00 176.35 176.90 1wxr s ASN 878 N 0.26 3.41 -0.38 3.68 -0.87 -0.22 -1.03 114.94 119.79 1wxr s ASN 878 Ca -0.08 -2.42 0.12 0.00 -1.57 0.00 0.00 52.86 48.91 1wxr s ASN 878 Cb -0.13 -0.79 0.37 0.00 -0.02 0.00 0.00 41.25 40.68 1wxr s ASN 878 CO 0.03 -0.29 0.88 0.00 -2.57 0.00 0.00 177.10 175.15 1wxr n ALA 879 N 3.79 1.73 0.34 0.60 0.00 0.14 -1.07 120.51 126.03 1wxr n ALA 879 Ca 0.09 -2.87 0.22 0.00 0.00 0.00 0.00 53.44 50.89 1wxr n ALA 879 Cb 0.36 -0.98 1.21 0.00 0.00 0.00 0.00 19.45 20.04 1wxr n ALA 879 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wxr h PRO 880 N 2.94 0.00 0.00 0.00 0.13 -1.77 -0.47 132.00 132.83 1wxr h PRO 880 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wxr h PRO 880 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wxr h PRO 880 CO 0.40 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 177.88 1wxr n ASP 881 N -3.13 1.90 -4.72 1.44 9.92 -1.26 -2.59 116.55 118.11 1wxr n ASP 881 Ca -0.03 -2.51 -0.31 0.00 -0.53 0.00 0.00 54.79 51.41 1wxr n ASP 881 Cb 0.07 -0.24 -0.08 0.00 -0.64 0.00 0.00 41.12 40.24 1wxr n ASP 881 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wxr s ALA 882 N -1.83 3.38 -0.27 2.24 0.00 -0.26 -3.90 121.76 121.12 1wxr s ALA 882 Ca 0.17 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 1wxr s ALA 882 Cb 0.15 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1wxr s ALA 882 CO 0.02 0.71 0.32 0.95 0.00 0.00 0.00 175.76 177.75 1wxr s THR 883 N -1.30 5.22 -0.18 0.00 -4.23 -0.90 -1.44 115.64 112.81 1wxr s THR 883 Ca 0.26 0.45 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1wxr s THR 883 Cb -0.12 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1wxr s THR 883 CO 0.18 0.19 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.62 1wxr s VAL 884 N 1.94 2.66 -0.09 2.29 1.01 0.12 -1.76 120.40 126.57 1wxr s VAL 884 Ca 0.13 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1wxr s VAL 884 Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1wxr s VAL 884 CO 0.10 0.50 -0.16 -0.55 0.00 0.00 0.00 175.10 175.00 1wxr s SER 885 N 1.09 2.33 0.01 3.32 0.15 0.53 -1.18 113.70 119.94 1wxr s SER 885 Ca -0.00 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.29 1wxr s SER 885 Cb -0.14 -1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 63.10 1wxr s SER 885 CO -0.04 0.04 -0.15 -0.04 1.20 0.00 0.00 173.24 174.25 1wxr s MET 886 N 0.79 1.12 -0.01 5.44 -1.94 0.28 -0.86 119.30 124.12 1wxr s MET 886 Ca -0.11 -0.63 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 1wxr s MET 886 Cb -0.16 -1.11 0.00 0.00 2.01 0.00 0.00 34.83 35.58 1wxr s MET 886 CO 0.02 0.29 -0.05 0.99 -0.01 0.00 0.00 175.02 176.26 1wxr s THR 887 N -0.54 0.43 -1.47 2.05 2.01 -0.86 -1.79 115.64 115.47 1wxr s THR 887 Ca 0.04 -0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 1wxr s THR 887 Cb -0.07 -0.38 0.11 0.00 0.01 0.00 0.00 72.50 72.17 1wxr s THR 887 CO 0.00 0.14 0.67 0.47 -0.69 0.00 0.00 174.62 175.21 1wxr n ASP 888 N 3.12 -3.67 -4.64 3.53 8.00 -0.73 -4.53 116.55 117.63 1wxr n ASP 888 Ca -0.15 -0.67 -0.29 0.00 0.71 0.00 0.00 54.79 54.39 1wxr n ASP 888 Cb 0.57 -3.01 -0.08 0.00 -0.02 0.00 0.00 41.12 38.57 1wxr n ASP 888 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1wxr s THR 889 N -3.10 3.72 -0.37 -3.53 2.01 -1.22 -0.81 115.64 112.34 1wxr s THR 889 Ca 0.57 -1.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1wxr s THR 889 Cb -0.30 -2.79 0.09 0.00 0.01 0.00 0.00 72.50 69.50 1wxr s THR 889 CO 0.70 0.05 0.14 -1.58 -0.69 0.00 0.00 174.62 173.25 1wxr s GLN 890 N -2.45 2.20 -0.31 4.92 0.74 -0.17 -1.45 119.66 123.14 1wxr s GLN 890 Ca 0.25 -1.60 -0.17 0.00 0.05 0.00 0.00 55.36 53.89 1wxr s GLN 890 Cb -0.11 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 1wxr s GLN 890 CO 0.17 -0.91 0.48 -0.46 -0.55 0.00 0.00 175.29 174.02 1wxr s TRP 891 N 1.21 3.22 -0.58 1.67 -0.00 0.50 -1.50 118.94 123.45 1wxr s TRP 891 Ca 0.04 0.34 -0.19 0.00 -0.00 0.00 0.00 56.10 56.29 1wxr s TRP 891 Cb -0.22 -2.79 0.10 0.00 -0.00 0.00 0.00 33.47 30.57 1wxr s TRP 891 CO -0.02 -0.40 0.68 0.45 -0.00 0.00 0.00 176.95 177.66 1wxr s SER 892 N 1.68 6.18 -0.64 5.86 0.15 0.16 -0.44 113.70 126.65 1wxr s SER 892 Ca 0.18 -1.46 -0.22 0.00 0.70 0.00 0.00 55.95 55.16 1wxr s SER 892 Cb -0.16 -2.29 0.07 0.00 -1.71 0.00 0.00 66.02 61.93 1wxr s SER 892 CO 0.11 -1.08 0.93 -0.32 1.20 0.00 0.00 173.24 174.08 1wxr s MET 893 N 2.57 3.12 0.00 5.44 1.75 0.00 -1.41 119.30 130.77 1wxr s MET 893 Ca 0.11 -0.84 0.29 0.00 -1.25 0.00 0.00 55.69 54.00 1wxr s MET 893 Cb -0.25 -4.22 1.30 0.00 2.84 0.00 0.00 34.83 34.51 1wxr s MET 893 CO 0.06 -1.76 1.90 0.09 -0.65 0.00 0.00 175.02 174.66 1wxr n ASN 894 N 7.54 0.61 -2.57 1.11 3.02 -1.11 -0.56 115.26 123.31 1wxr n ASN 894 Ca -0.04 -0.86 -0.02 0.00 -0.03 0.00 0.00 54.58 53.63 1wxr n ASN 894 Cb 0.45 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.60 1wxr n ASN 894 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wxr n GLY 895 N 1.21 0.81 3.69 7.41 0.00 -1.25 -4.20 105.19 112.85 1wxr n GLY 895 Ca 0.17 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1wxr n GLY 895 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wxr n ASN 896 N -1.05 2.56 -4.01 1.61 4.13 -1.26 -4.62 115.26 112.61 1wxr n ASN 896 Ca -0.01 1.14 -0.08 0.00 1.68 0.00 0.00 54.58 57.31 1wxr n ASN 896 Cb 0.39 -1.49 -0.10 0.00 -1.54 0.00 0.00 39.78 37.05 1wxr n ASN 896 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1wxr s SER 897 N -0.46 0.33 0.02 6.41 0.01 0.30 -4.44 113.70 115.87 1wxr s SER 897 Ca 0.59 -0.73 -0.00 0.00 1.31 0.00 0.00 55.95 57.12 1wxr s SER 897 Cb -0.53 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 1wxr s SER 897 CO 0.60 -0.49 -0.03 0.42 0.41 0.00 0.00 173.24 174.15 1wxr s THR 898 N -2.85 0.11 -0.04 1.44 -4.23 -0.19 -1.80 115.64 108.08 1wxr s THR 898 Ca -0.03 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.45 1wxr s THR 898 Cb 0.00 -0.26 0.03 0.00 1.34 0.00 0.00 72.50 73.61 1wxr s THR 898 CO -0.06 -0.48 0.34 0.00 -0.54 0.00 0.00 174.62 173.87 1wxr s ALA 899 N -1.42 -0.85 -0.05 3.99 0.00 -0.69 -0.69 121.76 122.05 1wxr s ALA 899 Ca -0.16 0.51 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 1wxr s ALA 899 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1wxr s ALA 899 CO -0.01 -0.25 0.24 0.78 0.00 0.00 0.00 175.76 176.53 1wxr h GLY 900 N 4.16 -0.17 -6.30 0.00 0.00 -0.99 -2.81 103.07 96.96 1wxr h GLY 900 Ca -0.29 0.06 -0.67 0.00 0.00 0.00 0.00 47.33 46.44 1wxr h GLY 900 CO 0.38 -0.06 -0.83 -1.31 0.00 0.00 0.00 176.54 174.71 1wxr s ASN 901 N -4.54 3.43 -0.07 0.19 0.01 -0.52 -1.10 114.94 112.34 1wxr s ASN 901 Ca -0.02 -0.64 0.05 0.00 -0.71 0.00 0.00 52.86 51.54 1wxr s ASN 901 Cb 0.00 -1.54 -0.01 0.00 0.41 0.00 0.00 41.25 40.12 1wxr s ASN 901 CO 0.07 -0.02 -0.24 -0.32 -1.51 0.00 0.00 177.10 175.08 1wxr s MET 902 N 1.32 2.67 -0.15 -0.60 -2.45 0.31 0.13 119.30 120.53 1wxr s MET 902 Ca 0.04 -0.88 -0.00 0.00 -1.25 0.00 0.00 55.69 53.60 1wxr s MET 902 Cb -0.14 -2.18 0.03 0.00 1.25 0.00 0.00 34.83 33.80 1wxr s MET 902 CO -0.11 0.31 -0.08 0.21 1.05 0.00 0.00 175.02 176.40 1wxr s LYS 903 N 0.01 1.70 0.10 4.11 2.20 -0.32 -0.62 119.74 126.92 1wxr s LYS 903 Ca -0.09 -0.49 0.09 0.00 -0.36 0.00 0.00 55.97 55.13 1wxr s LYS 903 Cb -0.15 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 1wxr s LYS 903 CO 0.05 -0.35 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.98 1wxr s LEU 904 N 1.60 2.56 -0.28 5.43 1.43 0.48 -0.55 118.68 129.35 1wxr s LEU 904 Ca 0.03 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1wxr s LEU 904 Cb -0.14 -1.44 0.16 0.00 0.03 0.00 0.00 46.19 44.79 1wxr s LEU 904 CO -0.08 0.20 0.55 0.21 0.23 0.00 0.00 176.35 177.45 1wxr s ASN 905 N -1.95 -0.90 -1.45 2.29 3.04 -0.74 -1.88 114.94 113.34 1wxr s ASN 905 Ca 0.16 0.88 -0.10 0.00 0.04 0.00 0.00 52.86 53.84 1wxr s ASN 905 Cb -0.10 1.90 0.06 0.00 -1.54 0.00 0.00 41.25 41.56 1wxr s ASN 905 CO 0.08 -0.26 0.75 0.54 -3.04 0.00 0.00 177.10 175.17 1wxr n ARG 906 N 5.42 -4.85 -4.47 0.43 1.74 -0.87 -1.77 116.66 112.29 1wxr n ARG 906 Ca -0.04 0.65 -0.30 0.00 -0.77 0.00 0.00 57.85 57.39 1wxr n ARG 906 Cb 0.50 -5.49 -0.13 0.00 -1.02 0.00 0.00 32.46 26.33 1wxr n ARG 906 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wxr s THR 907 N -3.15 2.52 -0.12 0.55 -4.23 -1.26 -2.17 115.64 107.79 1wxr s THR 907 Ca 0.49 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1wxr s THR 907 Cb -0.24 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1wxr s THR 907 CO 0.60 0.17 -0.07 -0.51 -0.54 0.00 0.00 174.62 174.27 1wxr s ILE 908 N -1.04 3.68 -0.31 2.99 2.07 -0.53 -1.54 121.20 126.52 1wxr s ILE 908 Ca 0.15 -0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 58.90 1wxr s ILE 908 Cb -0.10 -2.56 0.04 0.00 0.13 0.00 0.00 42.46 39.97 1wxr s ILE 908 CO 0.07 0.54 0.03 -0.69 -1.91 0.00 0.00 174.94 172.98 1wxr s VAL 909 N -0.09 3.29 -0.27 4.00 1.01 0.07 -0.37 120.40 128.04 1wxr s VAL 909 Ca 0.01 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 1wxr s VAL 909 Cb -0.13 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1wxr s VAL 909 CO 0.03 -0.11 0.17 -0.83 0.00 0.00 0.00 175.10 174.36 1wxr s GLY 910 N 1.32 1.91 0.09 4.51 0.00 0.41 -0.80 107.32 114.76 1wxr s GLY 910 Ca -0.03 -1.08 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 1wxr s GLY 910 CO 0.00 0.61 1.44 -1.36 0.00 0.00 0.00 173.10 173.79 1wxr s PHE 911 N 1.67 3.05 0.23 1.90 0.40 -0.93 -0.82 117.98 123.48 1wxr s PHE 911 Ca 0.07 0.82 -0.02 0.00 -0.60 0.00 0.00 56.93 57.19 1wxr s PHE 911 Cb -0.16 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.61 1wxr s PHE 911 CO 0.09 -2.67 0.23 1.21 0.70 0.00 0.00 175.22 174.78 1wxr s ASN 912 N 1.43 0.29 0.00 1.36 2.47 0.28 -4.88 114.94 115.88 1wxr s ASN 912 Ca 0.66 -1.35 0.00 0.00 0.42 0.00 0.00 52.86 52.59 1wxr s ASN 912 Cb -0.37 0.45 0.00 0.00 -1.45 0.00 0.00 41.25 39.88 1wxr s ASN 912 CO 0.30 -0.94 0.00 0.61 -3.72 0.00 0.00 177.10 173.35 1wxr n GLY 913 N -0.34 -0.32 2.55 1.21 0.00 -1.26 -3.97 105.19 103.06 1wxr n GLY 913 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wxr n GLY 913 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1wxr n PHE 918 N 0.00 0.00 -2.93 1.61 -1.74 -1.26 -4.96 117.46 108.19 1wxr n PHE 918 Ca 0.00 -0.05 -0.25 0.00 -0.56 0.00 0.00 57.45 56.60 1wxr n PHE 918 Cb 0.00 -0.26 0.01 0.00 1.52 0.00 0.00 39.48 40.74 1wxr n PHE 918 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1wxr s THR 919 N 1.20 4.39 -0.03 1.97 -1.32 -1.26 -4.88 115.64 115.71 1wxr s THR 919 Ca 0.00 -0.28 0.01 0.00 -1.21 0.00 0.00 61.69 60.21 1wxr s THR 919 Cb 0.00 -3.64 0.01 0.00 -1.51 0.00 0.00 72.50 67.36 1wxr s THR 919 CO 0.00 -0.51 -0.05 -0.89 -2.21 0.00 0.00 174.62 170.96 1wxr s THR 920 N -2.60 0.50 -0.13 5.08 2.01 -1.26 -2.23 115.64 117.01 1wxr s THR 920 Ca 0.47 -0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 1wxr s THR 920 Cb -0.10 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1wxr s THR 920 CO 0.40 0.19 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.17 1wxr s LEU 921 N 0.57 2.67 -0.02 4.42 1.98 -0.75 -0.54 118.68 127.02 1wxr s LEU 921 Ca -0.07 -0.36 0.02 0.00 -2.89 0.00 0.00 54.13 50.83 1wxr s LEU 921 Cb -0.11 -1.60 0.01 0.00 0.66 0.00 0.00 46.19 45.15 1wxr s LEU 921 CO -0.00 0.15 -0.05 0.28 -1.89 0.00 0.00 176.35 174.83 1wxr s THR 922 N 0.44 0.50 0.03 3.68 -1.32 -0.74 -0.36 115.64 117.88 1wxr s THR 922 Ca -0.10 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1wxr s THR 922 Cb -0.16 -0.47 -0.02 0.00 -1.51 0.00 0.00 72.50 70.34 1wxr s THR 922 CO 0.05 0.17 -0.04 0.42 -2.21 0.00 0.00 174.62 173.01 1wxr s THR 923 N 0.27 0.21 -0.05 5.08 -4.23 -0.24 -1.71 115.64 114.96 1wxr s THR 923 Ca -0.03 -1.07 -0.22 0.00 -1.18 0.00 0.00 61.69 59.19 1wxr s THR 923 Cb -0.07 -0.50 -0.17 0.00 1.34 0.00 0.00 72.50 73.10 1wxr s THR 923 CO -0.00 -0.55 0.92 0.44 -0.54 0.00 0.00 174.62 174.89 1wxr h ASP 924 N 4.41 -0.14 -3.27 3.99 3.32 -1.34 -2.17 116.42 121.22 1wxr h ASP 924 Ca -0.33 -0.42 -0.67 0.00 0.02 0.00 0.00 57.03 55.63 1wxr h ASP 924 Cb 1.20 0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.47 1wxr h ASP 924 CO 0.44 0.44 -0.82 0.20 -1.72 0.00 0.00 179.24 177.78 1wxr s ASN 925 N -5.57 3.50 -0.13 6.45 0.01 -0.26 -1.67 114.94 117.27 1wxr s ASN 925 Ca -0.14 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 51.53 1wxr s ASN 925 Cb 0.00 -1.52 0.02 0.00 0.41 0.00 0.00 41.25 40.16 1wxr s ASN 925 CO 0.52 0.10 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.82 1wxr s LEU 926 N 0.71 1.81 -0.39 0.60 2.96 -0.80 -0.53 118.68 123.04 1wxr s LEU 926 Ca -0.08 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1wxr s LEU 926 Cb -0.16 -1.21 0.09 0.00 0.50 0.00 0.00 46.19 45.42 1wxr s LEU 926 CO 0.01 0.01 0.17 -0.62 -1.32 0.00 0.00 176.35 174.60 1wxr s ASP 927 N 1.10 5.24 -0.15 3.68 2.15 0.20 -1.40 116.67 127.50 1wxr s ASP 927 Ca -0.03 -1.80 0.02 0.00 0.43 0.00 0.00 52.55 51.16 1wxr s ASP 927 Cb -0.14 -1.83 0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1wxr s ASP 927 CO -0.05 -0.49 -0.20 0.00 -0.17 0.00 0.00 175.17 174.26 1wxr s ALA 928 N 1.20 2.18 -0.09 3.66 0.00 -0.87 -0.38 121.76 127.46 1wxr s ALA 928 Ca 0.05 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1wxr s ALA 928 Cb -0.22 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 1wxr s ALA 928 CO -0.03 -0.15 -0.23 0.08 0.00 0.00 0.00 175.76 175.43 1wxr s VAL 929 N 1.02 1.99 -0.87 0.00 1.01 -0.79 -0.25 120.40 122.52 1wxr s VAL 929 Ca -0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1wxr s VAL 929 Cb -0.15 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1wxr s VAL 929 CO -0.06 0.55 0.24 0.00 0.00 0.00 0.00 175.10 175.83 1wxr n GLN 930 N 3.47 -2.61 -3.57 2.72 6.02 0.00 -2.04 117.38 121.36 1wxr n GLN 930 Ca -0.19 0.27 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 1wxr n GLN 930 Cb 0.53 -4.86 -0.03 0.00 1.02 0.00 0.00 30.24 26.90 1wxr n GLN 930 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1wxr s SER 931 N -2.42 5.14 0.04 1.08 0.01 -1.25 -3.28 113.70 113.03 1wxr s SER 931 Ca 0.25 -0.67 0.02 0.00 1.31 0.00 0.00 55.95 56.86 1wxr s SER 931 Cb -0.14 -0.66 -0.02 0.00 0.21 0.00 0.00 66.02 65.41 1wxr s SER 931 CO 0.31 -0.60 -0.08 0.00 0.41 0.00 0.00 173.24 173.28 1wxr s ALA 932 N -2.43 0.57 -0.14 1.44 0.00 -0.59 -2.05 121.76 118.55 1wxr s ALA 932 Ca 0.47 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1wxr s ALA 932 Cb -0.04 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1wxr s ALA 932 CO 0.28 -0.01 -0.21 -0.06 0.00 0.00 0.00 175.76 175.75 1wxr s PHE 933 N -1.30 2.68 -0.53 0.00 0.40 -0.59 -0.75 117.98 117.90 1wxr s PHE 933 Ca -0.09 -1.34 -0.16 0.00 -0.60 0.00 0.00 56.93 54.74 1wxr s PHE 933 Cb -0.09 -1.82 0.11 0.00 0.51 0.00 0.00 43.02 41.72 1wxr s PHE 933 CO 0.00 -0.61 0.50 0.08 0.70 0.00 0.00 175.22 175.89 1wxr s VAL 934 N 0.83 5.16 0.09 -0.44 1.01 0.02 -0.78 120.40 126.29 1wxr s VAL 934 Ca -0.06 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 1wxr s VAL 934 Cb -0.15 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1wxr s VAL 934 CO -0.02 -0.83 0.27 -0.04 0.00 0.00 0.00 175.10 174.48 1wxr s MET 935 N 1.76 3.49 0.16 2.72 1.00 -0.81 -2.19 119.30 125.42 1wxr s MET 935 Ca 0.05 -0.35 0.07 0.00 0.00 0.00 0.00 55.69 55.46 1wxr s MET 935 Cb -0.28 -2.97 -0.04 0.00 0.00 0.00 0.00 34.83 31.54 1wxr s MET 935 CO 0.04 0.56 0.01 1.03 0.00 0.00 0.00 175.02 176.66 1wxr s ARG 936 N -2.62 2.45 0.26 2.03 0.52 -1.26 -0.09 118.95 120.24 1wxr s ARG 936 Ca 0.37 -1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 54.32 1wxr s ARG 936 Cb -0.13 -2.40 0.04 0.00 0.52 0.00 0.00 34.95 32.99 1wxr s ARG 936 CO 0.27 0.47 0.82 0.99 0.02 0.00 0.00 175.30 177.88 1wxr s THR 937 N -1.66 0.00 0.00 0.02 2.01 0.11 -1.45 115.64 114.67 1wxr s THR 937 Ca 0.27 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.39 1wxr s THR 937 Cb -0.10 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1wxr s THR 937 CO 0.19 0.00 0.00 0.29 -0.69 0.00 0.00 174.62 174.41 1wxr n LYS 941 N -0.50 0.00 -4.16 4.92 5.02 -1.26 -2.72 118.16 119.45 1wxr n LYS 941 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 1wxr n LYS 941 Cb 0.60 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.52 1wxr n LYS 941 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wxr s ALA 942 N 0.00 0.96 0.86 7.82 0.00 -1.26 -5.13 121.76 125.01 1wxr s ALA 942 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.27 1wxr s ALA 942 Cb 0.00 1.32 0.11 0.00 0.00 0.00 0.00 23.12 24.55 1wxr s ALA 942 CO 0.00 -0.67 1.14 -0.51 0.00 0.00 0.00 175.76 175.72 1wxr s ASP 943 N -3.17 3.42 -0.08 0.00 1.01 -0.53 -4.76 116.67 112.57 1wxr s ASP 943 Ca 0.35 2.13 -0.11 0.00 0.71 0.00 0.00 52.55 55.63 1wxr s ASP 943 Cb 0.04 -2.56 0.03 0.00 1.01 0.00 0.00 42.92 41.44 1wxr s ASP 943 CO 0.14 -2.77 0.29 -0.75 0.21 0.00 0.00 175.17 172.29 1wxr s LYS 944 N -4.62 0.43 -0.12 8.23 2.20 -0.95 -4.73 119.74 120.18 1wxr s LYS 944 Ca 0.66 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 56.50 1wxr s LYS 944 Cb -0.22 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1wxr s LYS 944 CO 0.56 -0.08 -0.17 -1.17 -0.36 0.00 0.00 175.35 174.13 1wxr s LEU 945 N -0.30 2.48 -0.10 5.43 2.96 -0.73 -1.81 118.68 126.62 1wxr s LEU 945 Ca -0.04 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1wxr s LEU 945 Cb -0.03 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1wxr s LEU 945 CO 0.01 0.17 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.35 1wxr s VAL 946 N 0.31 1.56 -0.07 1.68 1.01 0.52 -1.69 120.40 123.72 1wxr s VAL 946 Ca -0.13 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1wxr s VAL 946 Cb -0.17 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1wxr s VAL 946 CO 0.07 0.45 -0.21 -0.63 0.00 0.00 0.00 175.10 174.78 1wxr s ILE 947 N 0.74 1.75 -0.43 2.22 1.09 0.12 -1.08 121.20 125.61 1wxr s ILE 947 Ca -0.12 -0.87 0.05 0.00 -1.10 0.00 0.00 60.65 58.61 1wxr s ILE 947 Cb -0.16 -1.52 0.18 0.00 -1.06 0.00 0.00 42.46 39.90 1wxr s ILE 947 CO 0.02 0.49 0.38 -0.46 -0.10 0.00 0.00 174.94 175.27 1wxr n ASN 948 N 3.37 -0.10 0.00 3.58 6.94 -0.82 -3.87 115.26 124.37 1wxr n ASN 948 Ca -0.19 -2.48 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1wxr n ASN 948 Cb 0.53 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1wxr n ASN 948 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1wxr n LYS 949 N 2.60 0.00 -3.66 -3.83 4.81 -1.12 -4.59 118.16 112.37 1wxr n LYS 949 Ca 0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1wxr n LYS 949 Cb 0.47 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.44 1wxr n LYS 949 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wxr s SER 950 N 0.00 -0.56 -0.27 3.14 0.15 -0.67 -4.89 113.70 110.60 1wxr s SER 950 Ca 0.00 0.97 -0.01 0.00 0.70 0.00 0.00 55.95 57.61 1wxr s SER 950 Cb 0.00 0.98 0.13 0.00 -1.71 0.00 0.00 66.02 65.41 1wxr s SER 950 CO 0.00 -0.29 0.28 0.00 1.20 0.00 0.00 173.24 174.43 1wxr s ALA 951 N -0.11 -0.39 0.08 5.45 0.00 -1.26 -1.90 121.76 123.63 1wxr s ALA 951 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1wxr s ALA 951 Cb -0.03 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1wxr s ALA 951 CO 0.03 -1.61 0.01 0.25 0.00 0.00 0.00 175.76 174.43 1wxr n THR 952 N 5.31 0.00 0.00 0.00 -2.24 -0.49 -4.70 114.28 112.16 1wxr n THR 952 Ca -0.03 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1wxr n THR 952 Cb 0.47 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1wxr n THR 952 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wxr n GLY 953 N 3.35 -0.46 0.00 3.38 0.00 -1.26 -2.04 105.19 108.16 1wxr n GLY 953 Ca -0.03 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1wxr n GLY 953 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wxr n HIS 954 N 0.00 0.00 -3.39 1.61 1.44 0.66 -4.94 115.22 110.60 1wxr n HIS 954 Ca 0.00 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.53 1wxr n HIS 954 Cb 0.00 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.19 1wxr n HIS 954 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wxr n ASP 955 N 0.00 -3.20 -4.65 4.39 8.00 -1.26 -0.82 116.55 119.01 1wxr n ASP 955 Ca 0.00 -0.56 -0.35 0.00 0.71 0.00 0.00 54.79 54.60 1wxr n ASP 955 Cb 0.00 -4.80 -0.10 0.00 -0.02 0.00 0.00 41.12 36.20 1wxr n ASP 955 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1wxr s ASN 956 N -3.99 5.20 0.06 -2.24 0.01 -1.11 -3.03 114.94 109.84 1wxr s ASN 956 Ca 0.16 0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.42 1wxr s ASN 956 Cb -0.07 -1.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 1wxr s ASN 956 CO 0.68 0.33 0.11 -0.44 -1.51 0.00 0.00 177.10 176.28 1wxr s SER 957 N -0.60 5.77 -0.29 -1.22 0.01 -0.87 -1.76 113.70 114.73 1wxr s SER 957 Ca 0.10 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 1wxr s SER 957 Cb -0.12 -1.63 0.04 0.00 0.21 0.00 0.00 66.02 64.52 1wxr s SER 957 CO 0.02 0.19 0.01 -0.63 0.41 0.00 0.00 173.24 173.24 1wxr s ILE 958 N -1.39 3.21 0.38 1.44 1.09 0.11 -1.54 121.20 124.51 1wxr s ILE 958 Ca 0.30 -1.15 -0.12 0.00 -1.10 0.00 0.00 60.65 58.58 1wxr s ILE 958 Cb -0.12 -2.76 -0.07 0.00 -1.06 0.00 0.00 42.46 38.45 1wxr s ILE 958 CO 0.22 -0.01 0.76 0.26 -0.10 0.00 0.00 174.94 176.08 1wxr s TRP 959 N 1.33 3.44 -0.09 3.97 0.52 0.04 -0.00 118.94 128.14 1wxr s TRP 959 Ca -0.02 1.09 -0.01 0.00 0.02 0.00 0.00 56.10 57.18 1wxr s TRP 959 Cb -0.19 -2.47 0.03 0.00 -1.15 0.00 0.00 33.47 29.69 1wxr s TRP 959 CO -0.01 -0.06 -0.04 0.08 0.02 0.00 0.00 176.95 176.95 1wxr s VAL 960 N -2.27 0.68 -0.62 4.03 1.01 -1.26 -1.93 120.40 120.04 1wxr s VAL 960 Ca 0.52 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 1wxr s VAL 960 Cb -0.10 -0.77 0.08 0.00 0.00 0.00 0.00 36.38 35.59 1wxr s VAL 960 CO 0.28 0.31 0.85 0.21 0.00 0.00 0.00 175.10 176.75 1wxr s ASN 961 N 1.81 6.18 -0.53 3.32 3.04 0.87 -4.35 114.94 125.29 1wxr s ASN 961 Ca 0.04 -1.14 -0.28 0.00 0.04 0.00 0.00 52.86 51.52 1wxr s ASN 961 Cb -0.12 -2.37 0.02 0.00 -1.54 0.00 0.00 41.25 37.24 1wxr s ASN 961 CO -0.06 -1.29 1.31 -0.36 -3.04 0.00 0.00 177.10 173.66 1wxr s PHE 962 N 3.47 2.47 0.12 0.43 0.40 -1.26 0.09 117.98 123.69 1wxr s PHE 962 Ca 0.18 0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 56.95 1wxr s PHE 962 Cb -0.20 -4.42 -0.11 0.00 0.51 0.00 0.00 43.02 38.80 1wxr s PHE 962 CO 0.09 -1.77 1.31 -0.07 0.70 0.00 0.00 175.22 175.48 1wxr h LEU 963 N 12.34 0.76 -8.85 -0.37 3.38 -1.90 -3.41 115.31 117.27 1wxr h LEU 963 Ca -0.26 -0.54 -0.64 0.00 0.09 0.00 0.00 57.88 56.53 1wxr h LEU 963 Cb 1.08 -0.23 -0.19 0.00 0.09 0.00 0.00 40.66 41.41 1wxr h LEU 963 CO 1.16 1.33 -0.59 -1.59 0.09 0.00 0.00 178.44 178.84 1wxr s LYS 964 N -3.53 3.81 -0.10 1.13 -2.85 -1.24 -5.00 119.74 111.97 1wxr s LYS 964 Ca -0.08 -0.41 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 1wxr s LYS 964 Cb 0.09 -3.32 -0.02 0.00 -2.06 0.00 0.00 37.83 32.52 1wxr s LYS 964 CO 0.89 -0.01 1.16 -1.59 0.10 0.00 0.00 175.35 175.90 1wxr s LYS 965 N 1.15 4.33 0.71 1.78 -2.85 -1.26 -5.01 119.74 118.59 1wxr s LYS 965 Ca 0.05 1.59 -0.09 0.00 -1.00 0.00 0.00 55.97 56.52 1wxr s LYS 965 Cb -0.14 -3.60 0.05 0.00 -2.06 0.00 0.00 37.83 32.07 1wxr s LYS 965 CO 0.04 -0.49 1.06 -1.25 0.10 0.00 0.00 175.35 174.80 1wxr s PRO 966 N 2.51 2.38 0.13 1.78 0.04 -1.26 -5.11 135.00 135.48 1wxr s PRO 966 Ca 0.53 0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.65 1wxr s PRO 966 Cb -0.22 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1wxr s PRO 966 CO 0.18 -1.21 -0.13 0.45 0.04 0.00 0.00 177.00 176.33 1wxr s SER 967 N -4.47 2.00 1.10 6.66 0.15 -1.26 -5.16 113.70 112.72 1wxr s SER 967 Ca 0.59 -0.86 -0.15 0.00 0.70 0.00 0.00 55.95 56.23 1wxr s SER 967 Cb -0.11 -0.06 0.24 0.00 -1.71 0.00 0.00 66.02 64.38 1wxr s SER 967 CO 0.47 -0.18 1.09 0.54 1.20 0.00 0.00 173.24 176.37 1wxr s ASN 968 N -2.66 1.79 0.00 5.45 4.22 -1.26 -4.16 114.94 118.32 1wxr s ASN 968 Ca 0.11 0.96 0.00 0.00 -2.14 0.00 0.00 52.86 51.80 1wxr s ASN 968 Cb -0.03 -1.47 0.00 0.00 1.28 0.00 0.00 41.25 41.03 1wxr s ASN 968 CO 0.03 -3.62 0.00 0.29 -2.04 0.00 0.00 177.10 171.76 1wxr n LYS 969 N -4.47 0.00 -3.92 3.55 4.76 -1.26 -4.85 118.16 111.97 1wxr n LYS 969 Ca 0.08 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.20 1wxr n LYS 969 Cb 0.58 -0.31 -0.13 0.00 -1.84 0.00 0.00 35.03 33.33 1wxr n LYS 969 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wxr s ASP 970 N 0.00 4.61 -0.07 4.39 1.11 -1.26 -5.02 116.67 120.43 1wxr s ASP 970 Ca 0.00 -2.77 -0.03 0.00 0.18 0.00 0.00 52.55 49.94 1wxr s ASP 970 Cb 0.00 -1.68 0.01 0.00 1.07 0.00 0.00 42.92 42.32 1wxr s ASP 970 CO 0.00 -0.30 0.05 0.41 1.18 0.00 0.00 175.17 176.51 1wxr n THR 971 N 3.47 -5.83 -3.88 -1.27 -1.04 -1.26 -4.93 114.28 99.55 1wxr n THR 971 Ca 0.05 0.79 -0.23 0.00 -2.04 0.00 0.00 64.05 62.62 1wxr n THR 971 Cb 0.35 -4.62 -0.17 0.00 -1.82 0.00 0.00 70.33 64.07 1wxr n THR 971 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1wxr s LEU 972 N -0.31 0.83 -0.43 -4.42 1.02 -1.26 -5.06 118.68 109.05 1wxr s LEU 972 Ca -0.06 -0.12 0.08 0.00 0.02 0.00 0.00 54.13 54.05 1wxr s LEU 972 Cb 0.00 -0.48 0.30 0.00 0.02 0.00 0.00 46.19 46.03 1wxr s LEU 972 CO 0.25 -0.15 0.83 -0.67 0.02 0.00 0.00 176.35 176.62 1wxr n ASP 973 N 4.85 -1.02 -4.08 2.29 4.64 -1.23 -4.17 116.55 117.84 1wxr n ASP 973 Ca -0.12 -3.20 -0.32 0.00 -1.38 0.00 0.00 54.79 49.77 1wxr n ASP 973 Cb 0.50 0.62 -0.15 0.00 -1.04 0.00 0.00 41.12 41.06 1wxr n ASP 973 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1wxr s ILE 974 N -0.72 2.34 0.07 5.18 1.01 -1.24 -4.98 121.20 122.87 1wxr s ILE 974 Ca 0.32 -1.69 -0.31 0.00 0.00 0.00 0.00 60.65 58.98 1wxr s ILE 974 Cb 0.27 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.23 1wxr s ILE 974 CO -0.12 -0.12 1.79 -2.84 0.00 0.00 0.00 174.94 173.65 1wxr s PRO 975 N 1.10 4.16 -0.12 2.79 0.02 -1.26 -1.33 135.00 140.37 1wxr s PRO 975 Ca -0.06 2.48 0.20 0.00 0.02 0.00 0.00 61.00 63.64 1wxr s PRO 975 Cb -0.20 -3.76 -0.29 0.00 0.02 0.00 0.00 34.50 30.27 1wxr s PRO 975 CO -0.05 -0.84 0.27 1.28 -0.33 0.00 0.00 177.00 177.33 1wxr n LEU 976 N 6.21 0.00 -3.89 -5.54 4.32 -0.51 -4.85 117.00 112.74 1wxr n LEU 976 Ca 0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.06 1wxr n LEU 976 Cb 0.40 0.26 -0.10 0.00 -1.62 0.00 0.00 43.42 42.35 1wxr n LEU 976 CO 0.65 0.26 -0.23 -0.69 -1.22 0.00 0.00 177.39 176.16 1wxr s VAL 977 N -2.98 0.08 -0.03 4.08 1.01 -1.21 -1.77 120.40 119.58 1wxr s VAL 977 Ca -0.09 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1wxr s VAL 977 Cb 0.10 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1wxr s VAL 977 CO 0.86 -0.36 0.06 -0.55 0.00 0.00 0.00 175.10 175.12 1wxr s SER 978 N -1.23 -0.03 0.24 3.32 0.15 -0.68 -2.15 113.70 113.32 1wxr s SER 978 Ca -0.13 0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1wxr s SER 978 Cb -0.07 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wxr s SER 978 CO 0.01 -0.07 0.51 0.00 1.20 0.00 0.00 173.24 174.89 1wxr s ALA 979 N 0.50 -0.46 0.47 5.45 0.00 -0.12 -0.70 121.76 126.90 1wxr s ALA 979 Ca -0.04 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 1wxr s ALA 979 Cb -0.06 1.00 -0.10 0.00 0.00 0.00 0.00 23.12 23.96 1wxr s ALA 979 CO -0.02 -0.86 0.71 -2.30 0.00 0.00 0.00 175.76 173.29 1wxr n PRO 980 N -0.38 0.80 -0.29 0.00 -0.02 -1.25 -1.69 135.00 132.17 1wxr n PRO 980 Ca -0.03 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1wxr n PRO 980 Cb 0.62 -1.76 0.24 0.00 -0.02 0.00 0.00 33.50 32.58 1wxr n PRO 980 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wxr h GLU 981 N 0.86 0.99 -0.18 -0.52 4.81 -1.88 -2.21 114.58 116.45 1wxr h GLU 981 Ca -0.43 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1wxr h GLU 981 Cb 1.38 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1wxr h GLU 981 CO 0.52 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 179.46 1wxr n ALA 982 N -2.40 2.36 -2.43 2.92 0.00 -1.26 -4.54 120.51 115.16 1wxr n ALA 982 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1wxr n ALA 982 Cb 0.18 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1wxr n ALA 982 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wxr s THR 983 N -1.79 4.29 0.11 0.00 2.01 -0.83 -4.99 115.64 114.44 1wxr s THR 983 Ca 0.00 1.72 -0.35 0.00 0.31 0.00 0.00 61.69 63.36 1wxr s THR 983 Cb 0.00 -4.10 -0.17 0.00 0.01 0.00 0.00 72.50 68.24 1wxr s THR 983 CO 0.00 0.17 1.17 0.00 -0.69 0.00 0.00 174.62 175.27 1wxr n ALA 984 N 3.55 -1.52 -0.01 7.40 0.00 -1.26 -4.89 120.51 123.78 1wxr n ALA 984 Ca 0.06 0.51 0.17 0.00 0.00 0.00 0.00 53.44 54.18 1wxr n ALA 984 Cb 0.48 -1.97 0.64 0.00 0.00 0.00 0.00 19.45 18.60 1wxr n ALA 984 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wxr h ASP 985 N 3.55 0.10 -0.36 0.00 5.19 -1.95 -2.95 116.42 119.99 1wxr h ASP 985 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1wxr h ASP 985 Cb 1.36 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1wxr h ASP 985 CO 0.71 0.05 0.00 -0.46 -3.12 0.00 0.00 179.24 176.42 1wxr n ASN 986 N -4.42 2.43 -0.24 6.45 6.94 -1.26 -4.02 115.26 121.15 1wxr n ASN 986 Ca 0.09 -1.91 -0.03 0.00 -0.02 0.00 0.00 54.58 52.71 1wxr n ASN 986 Cb 0.52 -0.24 0.14 0.00 -2.36 0.00 0.00 39.78 37.84 1wxr n ASN 986 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1wxr h LEU 987 N 2.91 0.96 -8.50 -4.53 5.85 -1.88 -3.38 115.31 106.75 1wxr h LEU 987 Ca 0.00 -0.12 -0.48 0.00 0.84 0.00 0.00 57.88 58.13 1wxr h LEU 987 Cb 0.65 -0.25 -0.22 0.00 0.37 0.00 0.00 40.66 41.21 1wxr h LEU 987 CO 0.00 0.83 -0.80 -0.36 -0.34 0.00 0.00 178.44 177.77 1wxr s PHE 988 N -5.56 1.45 0.08 1.25 0.40 -1.26 -2.75 117.98 111.59 1wxr s PHE 988 Ca -0.11 -0.42 -0.15 0.00 -0.60 0.00 0.00 56.93 55.64 1wxr s PHE 988 Cb 0.16 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.91 1wxr s PHE 988 CO 0.81 0.11 0.36 -0.98 0.70 0.00 0.00 175.22 176.23 1wxr s ARG 989 N -1.67 0.96 0.36 0.44 1.70 -0.72 -4.99 118.95 115.03 1wxr s ARG 989 Ca 0.02 -0.61 -0.28 0.00 -0.47 0.00 0.00 55.73 54.39 1wxr s ARG 989 Cb -0.10 0.42 -0.12 0.00 -0.57 0.00 0.00 34.95 34.59 1wxr s ARG 989 CO 0.03 -0.35 1.40 0.00 -1.08 0.00 0.00 175.30 175.30 1wxr n ALA 990 N 0.13 1.88 -0.56 7.88 0.00 -1.26 0.06 120.51 128.64 1wxr n ALA 990 Ca -0.17 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1wxr n ALA 990 Cb 0.62 -2.34 0.22 0.00 0.00 0.00 0.00 19.45 17.94 1wxr n ALA 990 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wxr n SER 991 N 0.59 -1.60 0.00 0.00 2.88 0.99 -4.57 113.62 111.91 1wxr n SER 991 Ca 0.03 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wxr n SER 991 Cb 0.38 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1wxr n SER 991 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1wxr n THR 992 N -4.69 0.00 -4.31 2.46 -1.04 -1.26 -4.59 114.28 100.86 1wxr n THR 992 Ca 0.04 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.38 1wxr n THR 992 Cb 0.55 1.03 -0.12 0.00 -1.82 0.00 0.00 70.33 69.98 1wxr n THR 992 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1wxr s ARG 993 N -0.64 1.20 0.20 -2.82 3.00 -1.26 -5.05 118.95 113.58 1wxr s ARG 993 Ca 0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 55.73 54.21 1wxr s ARG 993 Cb 0.00 -1.29 -0.08 0.00 0.00 0.00 0.00 34.95 33.58 1wxr s ARG 993 CO 0.00 0.27 0.70 0.54 0.00 0.00 0.00 175.30 176.82 1wxr s VAL 994 N -1.81 4.58 -0.10 3.52 0.11 -1.26 -4.85 120.40 120.59 1wxr s VAL 994 Ca 0.12 1.30 -0.10 0.00 -2.93 0.00 0.00 61.98 60.37 1wxr s VAL 994 Cb -0.07 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.86 1wxr s VAL 994 CO 0.05 0.28 -0.19 0.52 -3.33 0.00 0.00 175.10 172.44 1wxr n VAL 995 N 0.93 0.89 0.00 2.04 0.31 -1.26 -4.78 118.33 116.45 1wxr n VAL 995 Ca -0.04 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1wxr n VAL 995 Cb 0.51 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 1wxr n VAL 995 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wxr n GLY 996 N 1.51 0.09 1.07 2.92 0.00 -1.26 -3.82 105.19 105.71 1wxr n GLY 996 Ca -0.08 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.26 1wxr n GLY 996 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wxr n PHE 997 N 0.00 1.07 0.08 1.61 3.01 -1.26 -4.55 117.46 117.42 1wxr n PHE 997 Ca 0.00 -0.74 -0.04 0.00 1.01 0.00 0.00 57.45 57.67 1wxr n PHE 997 Cb 0.00 -0.27 -0.07 0.00 -0.01 0.00 0.00 39.48 39.13 1wxr n PHE 997 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1wxr h SER 998 N 2.47 0.00 -1.30 4.37 0.02 -1.92 -3.48 113.55 113.71 1wxr h SER 998 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1wxr h SER 998 Cb 1.37 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.79 1wxr h SER 998 CO 0.21 0.86 -0.29 0.47 -1.14 0.00 0.00 176.83 176.95 1wxr n ASP 999 N -3.35 -4.13 -4.51 3.07 10.43 -1.26 -4.95 116.55 111.84 1wxr n ASP 999 Ca 0.00 0.38 -0.25 0.00 2.57 0.00 0.00 54.79 57.49 1wxr n ASP 999 Cb 0.87 -3.77 -0.10 0.00 1.84 0.00 0.00 41.12 39.96 1wxr n ASP 999 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1wxr s VAL 1000N -2.34 1.45 -0.01 2.53 -7.23 -1.26 -1.89 120.40 111.65 1wxr s VAL 1000Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1wxr s VAL 1000Cb 0.00 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.15 1wxr s VAL 1000CO 0.00 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.84 1wxr s THR 1001N -3.04 0.48 0.62 5.32 2.01 -0.68 -4.55 115.64 115.80 1wxr s THR 1001Ca 0.33 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.89 1wxr s THR 1001Cb 0.08 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 1wxr s THR 1001CO 0.15 0.14 1.20 -2.16 -0.69 0.00 0.00 174.62 173.26 1wxr s PRO 1002N -0.09 2.84 -0.04 4.92 0.04 -1.26 -1.90 135.00 139.50 1wxr s PRO 1002Ca 0.02 1.78 0.04 0.00 0.04 0.00 0.00 61.00 62.88 1wxr s PRO 1002Cb -0.03 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1wxr s PRO 1002CO -0.00 -1.30 -0.17 0.42 0.04 0.00 0.00 177.00 175.99 1wxr s ILE 1003N -1.71 1.41 0.08 0.56 1.01 0.15 -4.81 121.20 117.89 1wxr s ILE 1003Ca 0.76 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.80 1wxr s ILE 1003Cb -0.29 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1wxr s ILE 1003CO 0.35 0.41 -0.25 -0.76 0.00 0.00 0.00 174.94 174.69 1wxr s LEU 1004N 0.07 2.23 -0.07 2.97 1.43 -1.26 -1.35 118.68 122.69 1wxr s LEU 1004Ca -0.04 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1wxr s LEU 1004Cb -0.12 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1wxr s LEU 1004CO 0.02 0.20 -0.09 -0.44 0.23 0.00 0.00 176.35 176.27 1wxr s SER 1005N -1.54 4.45 -0.78 2.29 0.01 -0.08 -4.89 113.70 113.17 1wxr s SER 1005Ca 0.11 -0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.08 1wxr s SER 1005Cb -0.10 -1.14 0.11 0.00 0.21 0.00 0.00 66.02 65.11 1wxr s SER 1005CO 0.03 0.34 0.98 -0.69 0.41 0.00 0.00 173.24 174.31 1wxr s VAL 1006N -0.66 4.67 -0.25 3.43 1.01 -1.26 -0.29 120.40 127.05 1wxr s VAL 1006Ca 0.10 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 1wxr s VAL 1006Cb -0.11 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1wxr s VAL 1006CO 0.01 -1.39 0.37 -0.13 0.00 0.00 0.00 175.10 173.96 1wxr s ARG 1007N 2.96 4.05 -0.11 2.72 0.52 -0.90 -4.93 118.95 123.27 1wxr s ARG 1007Ca 0.24 0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1wxr s ARG 1007Cb -0.13 -3.62 -0.14 0.00 0.52 0.00 0.00 34.95 31.58 1wxr s ARG 1007CO -0.00 -0.20 3.13 1.17 0.02 0.00 0.00 175.30 179.41 1wxr n LYS 1008N 5.08 1.91 -1.08 3.54 4.81 -1.26 -1.41 118.16 129.75 1wxr n LYS 1008Ca -0.09 -1.14 -0.34 0.00 -0.87 0.00 0.00 58.31 55.88 1wxr n LYS 1008Cb 0.51 -1.85 -0.11 0.00 0.02 0.00 0.00 35.03 33.60 1wxr n LYS 1008CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1wxr n GLU 1009N 1.91 0.41 -2.08 1.64 2.13 -1.07 -4.68 120.64 118.90 1wxr n GLU 1009Ca 0.37 -1.49 0.00 0.00 0.66 0.00 0.00 57.16 56.70 1wxr n GLU 1009Cb 0.77 -3.13 0.00 0.00 0.27 0.00 0.00 31.44 29.34 1wxr n GLU 1009CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1wxr n ASP 1010N 12.74 -5.14 0.00 4.31 9.92 -1.26 -3.90 116.55 133.22 1wxr n ASP 1010Ca 0.45 1.40 0.00 0.00 -0.53 0.00 0.00 54.79 56.11 1wxr n ASP 1010Cb 0.44 -3.53 0.00 0.00 -0.64 0.00 0.00 41.12 37.39 1wxr n ASP 1010CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wxr n GLY 1011N 1.87 1.74 3.34 0.44 0.00 -1.26 -4.92 105.19 106.40 1wxr n GLY 1011Ca 0.00 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1wxr n GLY 1011CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wxr s LYS 1012N 0.00 1.71 0.05 1.61 1.02 -1.25 -3.84 119.74 119.03 1wxr s LYS 1012Ca 0.00 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 54.61 1wxr s LYS 1012Cb 0.00 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.35 1wxr s LYS 1012CO 0.00 0.49 0.84 0.21 -0.92 0.00 0.00 175.35 175.97 1wxr s LYS 1013N -1.31 4.56 0.23 1.68 2.20 -0.68 -2.60 119.74 123.81 1wxr s LYS 1013Ca 0.11 1.21 0.05 0.00 -0.36 0.00 0.00 55.97 56.98 1wxr s LYS 1013Cb -0.10 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1wxr s LYS 1013CO 0.02 0.20 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.96 1wxr s GLU 1014N 0.17 1.35 -0.32 4.03 2.02 -0.50 -0.94 118.70 124.51 1wxr s GLU 1014Ca 0.43 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.75 1wxr s GLU 1014Cb -0.21 -0.82 0.10 0.00 0.10 0.00 0.00 34.13 33.31 1wxr s GLU 1014CO 0.25 -0.00 0.10 -1.58 0.02 0.00 0.00 175.26 174.05 1wxr s TRP 1015N -3.25 2.00 -0.13 1.61 0.51 -0.91 -2.12 118.94 116.65 1wxr s TRP 1015Ca 0.26 -1.94 -0.02 0.00 -2.12 0.00 0.00 56.10 52.28 1wxr s TRP 1015Cb 0.04 -1.89 -0.03 0.00 -0.81 0.00 0.00 33.47 30.79 1wxr s TRP 1015CO 0.08 -0.88 -0.06 0.54 -0.51 0.00 0.00 176.95 176.12 1wxr s VAL 1016N 1.45 3.71 -0.73 4.03 0.11 0.60 -1.42 120.40 128.16 1wxr s VAL 1016Ca 0.10 -0.44 -0.26 0.00 -2.93 0.00 0.00 61.98 58.46 1wxr s VAL 1016Cb -0.18 -2.58 -0.06 0.00 -1.53 0.00 0.00 36.38 32.03 1wxr s VAL 1016CO -0.22 0.53 2.08 -0.22 -3.33 0.00 0.00 175.10 173.95 1wxr s LEU 1017N 0.02 3.19 0.00 2.54 2.96 -0.44 -0.90 118.68 126.05 1wxr s LEU 1017Ca -0.01 0.06 0.22 0.00 -0.22 0.00 0.00 54.13 54.18 1wxr s LEU 1017Cb -0.14 -2.54 0.56 0.00 0.50 0.00 0.00 46.19 44.58 1wxr s LEU 1017CO 0.03 -2.87 1.48 -0.90 -1.32 0.00 0.00 176.35 172.77 1wxr n ASP 1018N 14.82 3.75 0.00 3.68 3.85 -0.45 -3.50 116.55 138.70 1wxr n ASP 1018Ca 0.35 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 1wxr n ASP 1018Cb 0.49 -0.41 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1wxr n ASP 1018CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wxr n GLY 1019N 1.53 -1.31 0.99 6.12 0.00 -1.18 -4.58 105.19 106.76 1wxr n GLY 1019Ca 0.22 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 1wxr n GLY 1019CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1wxr n TYR 1020N 1.46 -0.04 -3.59 1.61 4.11 -1.26 -0.67 117.16 118.78 1wxr n TYR 1020Ca 0.00 -0.80 -0.16 0.00 -0.00 0.00 0.00 57.90 56.94 1wxr n TYR 1020Cb 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 39.34 39.30 1wxr n TYR 1020CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1wxr s GLN 1021N -2.45 0.96 0.47 -3.48 0.74 -0.80 -4.79 119.66 110.32 1wxr s GLN 1021Ca 0.08 0.06 -0.08 0.00 0.05 0.00 0.00 55.36 55.47 1wxr s GLN 1021Cb 0.00 0.44 0.11 0.00 1.10 0.00 0.00 33.01 34.67 1wxr s GLN 1021CO 0.06 -0.30 0.65 0.28 -0.55 0.00 0.00 175.29 175.42 1wxr n VAL 1022N 0.91 0.00 0.00 1.34 0.31 -1.26 -1.69 118.33 117.94 1wxr n VAL 1022Ca -0.20 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1wxr n VAL 1022Cb 0.57 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1wxr n VAL 1022CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wxr n ALA 1023N -3.39 0.00 -2.44 3.52 0.00 -0.79 -4.67 120.51 112.74 1wxr n ALA 1023Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1wxr n ALA 1023Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 1wxr n ALA 1023CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1wxr s ARG 1024N 0.00 3.47 0.00 0.00 6.06 -1.26 -5.06 118.95 122.16 1wxr s ARG 1024Ca 0.00 0.57 0.00 0.00 -2.50 0.00 0.00 55.73 53.80 1wxr s ARG 1024Cb 0.00 -4.05 0.00 0.00 0.06 0.00 0.00 34.95 30.96 1wxr s ARG 1024CO 0.00 -1.71 0.00 0.00 -2.50 0.00 0.00 175.30 171.09 1wxr n ALA 1031N 8.94 -2.58 0.00 6.12 0.00 -1.26 -5.29 120.51 126.44 1wxr n ALA 1031Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1wxr n ALA 1031Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1wxr n ALA 1031CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wxr n ALA 1032N 0.42 0.00 -0.35 0.00 0.00 -1.26 -4.88 120.51 114.44 1wxr n ALA 1032Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1wxr n ALA 1032Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1wxr n ALA 1032CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wxr h ALA 1033N 0.00 1.74 -2.52 0.00 0.00 -1.80 -3.38 119.26 113.30 1wxr h ALA 1033Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1wxr h ALA 1033Cb 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.57 1wxr h ALA 1033CO 0.00 -0.15 -0.68 0.99 0.00 0.00 0.00 179.25 179.41 1wxr s THR 1034N -5.81 0.18 0.33 0.00 2.01 -1.26 -4.50 115.64 106.59 1wxr s THR 1034Ca -0.11 -1.47 0.12 0.00 0.31 0.00 0.00 61.69 60.55 1wxr s THR 1034Cb 0.26 -1.05 0.35 0.00 0.01 0.00 0.00 72.50 72.06 1wxr s THR 1034CO 0.80 -0.81 1.61 0.15 -0.69 0.00 0.00 174.62 175.69 1wxr h PHE 1035N 3.70 0.61 0.00 4.92 3.57 -1.88 0.68 116.94 128.53 1wxr h PHE 1035Ca -0.33 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1wxr h PHE 1035Cb 1.17 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1wxr h PHE 1035CO 0.58 -0.33 0.00 1.98 -2.23 0.00 0.00 178.31 178.30 1wxr h MET 1036N 0.13 0.00 -0.03 1.11 4.05 -1.96 -2.58 114.93 115.66 1wxr h MET 1036Ca 0.71 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.13 1wxr h MET 1036Cb 1.68 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.48 1wxr h MET 1036CO -0.73 0.00 -0.05 0.72 0.23 0.00 0.00 176.91 177.08 1wxr n HIS 1037N -2.30 0.00 -2.37 1.39 8.25 0.23 -4.74 115.22 115.67 1wxr n HIS 1037Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1wxr n HIS 1037Cb 0.17 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 1wxr n HIS 1037CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1wxr s ILE 1038N -2.05 3.64 0.82 1.59 1.01 -0.97 -4.86 121.20 120.38 1wxr s ILE 1038Ca 0.28 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 1wxr s ILE 1038Cb 0.20 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1wxr s ILE 1038CO 0.33 -1.55 0.30 -1.54 0.00 0.00 0.00 174.94 172.48 1wxr n SER 1039N 10.59 -2.19 -0.35 3.58 3.41 -1.26 -4.77 113.62 122.63 1wxr n SER 1039Ca 0.17 0.45 0.03 0.00 -0.26 0.00 0.00 58.87 59.26 1wxr n SER 1039Cb 0.50 -1.14 0.19 0.00 -0.26 0.00 0.00 64.21 63.50 1wxr n SER 1039CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1wxr h TYR 1040N -0.84 1.16 -0.20 7.33 5.03 -1.48 -0.38 116.97 127.57 1wxr h TYR 1040Ca -0.44 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.88 1wxr h TYR 1040Cb 1.32 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 1wxr h TYR 1040CO 0.34 0.60 0.05 -0.91 -1.32 0.00 0.00 178.16 176.93 1wxr h ASN 1041N 1.14 0.31 -0.08 -2.11 -0.26 -1.91 0.65 115.58 113.32 1wxr h ASN 1041Ca 0.42 -0.22 0.03 0.00 -0.56 0.00 0.00 56.30 55.96 1wxr h ASN 1041Cb 0.17 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1wxr h ASN 1041CO -0.16 0.45 -0.08 -1.13 -1.06 0.00 0.00 177.43 175.45 1wxr h ASN 1042N 0.15 -0.24 -0.17 5.81 -0.73 -1.92 -1.49 115.58 116.99 1wxr h ASN 1042Ca 0.06 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1wxr h ASN 1042Cb 0.26 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 1wxr h ASN 1042CO 0.00 -0.11 0.10 0.15 -0.37 0.00 0.00 177.43 177.20 1wxr h PHE 1043N -0.10 0.22 -0.04 0.67 3.04 -0.59 -1.47 116.94 118.68 1wxr h PHE 1043Ca 0.06 -0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.83 1wxr h PHE 1043Cb 0.18 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1wxr h PHE 1043CO -0.18 0.19 -0.76 0.97 -2.02 0.00 0.00 178.31 176.50 1wxr h ILE 1044N 0.20 1.42 -0.04 1.41 6.09 0.36 -2.67 117.51 124.28 1wxr h ILE 1044Ca 0.06 -2.27 -0.16 0.00 -1.37 0.00 0.00 64.86 61.12 1wxr h ILE 1044Cb 0.03 2.22 -0.01 0.00 0.47 0.00 0.00 36.82 39.52 1wxr h ILE 1044CO -0.01 0.67 -0.69 0.71 -3.07 0.00 0.00 178.15 175.76 1wxr h THR 1045N 0.19 1.43 -0.62 2.19 1.35 -1.23 -2.80 112.91 113.43 1wxr h THR 1045Ca -0.03 -2.21 -0.03 0.00 -0.55 0.00 0.00 66.41 63.59 1wxr h THR 1045Cb 1.34 2.17 -0.03 0.00 -1.73 0.00 0.00 68.15 69.90 1wxr h THR 1045CO 0.12 0.65 0.28 -0.08 -0.25 0.00 0.00 175.52 176.24 1wxr h GLU 1046N 0.12 0.91 -1.33 4.72 4.57 -1.15 1.12 114.58 123.55 1wxr h GLU 1046Ca -0.02 -0.15 0.39 0.00 -1.18 0.00 0.00 59.36 58.41 1wxr h GLU 1046Cb 1.23 -0.16 -0.09 0.00 -0.16 0.00 0.00 28.75 29.57 1wxr h GLU 1046CO 0.10 0.74 0.91 0.28 -1.18 0.00 0.00 179.01 179.86 1wxr h VAL 1047N 0.86 0.28 0.00 0.32 2.07 -1.22 -3.47 116.25 115.09 1wxr h VAL 1047Ca 0.21 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1wxr h VAL 1047Cb 0.15 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1wxr h VAL 1047CO -0.02 0.02 0.00 -0.46 0.02 0.00 0.00 177.57 177.13